Diphenylmethyl piperazinylbenzimidazole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    65215-54-5

    Molecular formula
    C27H30N4

    SMILES
    C1CN(CCN1CCCN2C=NC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=CC=C5

    Safety labels

  • Odor profile

    Fragrance
    Fishy 39.79%
    Animal 37.31%
    Odorless 32.72%
    Cheesy 32.55%
    Burnt 28.67%
    Roasted 26.51%
    Cooked 26.02%
    Ripe 24.3%
    Meaty 23.97%
    Earthy 23.1%

     

    Flavor
    Bitter 69.17%
    Very strong 19.47%
    Cedarleaf 19.4%
    Indole 19.4%
    Nitrile 19.33%
    Alkaline 18.88%
    Cereal 18.86%
    Moth ball 18.8%
    Odorless 18.64%
    Naphthelene 18.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    6.44 (neutral)

    Molecular weight
    410.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    789°C

    Flash point

    • 252.84 ˚C est.

  • Synonyms

    • DIPHENYLMETHYL PIPERAZINYLBENZIMIDAZOLE
    • 179F5XG8QC
    • Iramine
    • UNII-179F5XG8QC
    • 65215-54-5
    • 1H-BENZIMIDAZOLE, 1-(3-(4-(DIPHENYLMETHYL)-1-PIPERAZINYL)PROPYL)-
    • RefChem:134693
    • DIPHENYLMETHYL PIPERAZINYLBENZIMIDAZOLE [INCI]
    • 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1H-benzimidazole
    • 1-{3-[4-(diphenylmethyl)-1-piperazinyl]propyl}-1H-benzimidazole
    • SCHEMBL8720965
    • DTXSID301021218
    • Q27251890
    • {3-[4-(diphenylmethyl)-1-piperazinyl]propyl}-1H-benzimidazole
    • 65215-54-5

  • Applications

    Diphenylmethyl piperazinylbenzimidazole (CAS 65215-54-5) is primarily used as an intermediate in pharmaceutical synthesis, where the benzimidazole–piperazine scaffold is built into drug-like molecules. In medicinal chemistry, it serves as a building block for library generation and SAR exploration, enabling diversification around the benzimidazole/piperazine core. It is commonly evaluated as a precursor for the synthesis of benzimidazole-containing compounds and related heterocycles, supporting lead optimization. In academic and industrial research settings, it may be employed as a reagent or reference compound for synthetic methodology studies and for exploring binding interactions in receptor-target SAR programs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.54
    methanol 16.24
    isopropanol 5.53
    water 0.17
    ethyl acetate 18.88
    n-propanol 15.71
    acetone 24.47
    n-butanol 16.81
    acetonitrile 6.51
    DMF 30.82
    toluene 36.74
    isobutanol 12.43
    1,4-dioxane 43.13
    methyl acetate 21.05
    THF 119.97
    2-butanone 39.63
    n-pentanol 15.73
    sec-butanol 10.62
    n-hexane 1.23
    ethylene glycol 3.68
    NMP 42.63
    cyclohexane 2.14
    DMSO 44.78
    n-butyl acetate 15.3
    n-octanol 6.83
    chloroform 329.36
    n-propyl acetate 16.01
    acetic acid 27.35
    dichloromethane 315.39
    cyclohexanone 60.65
    propylene glycol 5.06
    isopropyl acetate 12.06
    DMAc 67.69
    2-ethoxyethanol 33.69
    isopentanol 14.9
    n-heptane 1.62
    ethyl formate 25.22
    1,2-dichloroethane 117.85
    n-hexanol 11.82
    2-methoxyethanol 34.1
    isobutyl acetate 14.26
    tetrachloromethane 24.95
    n-pentyl acetate 18.39
    transcutol 52.51
    n-heptanol 9.97
    ethylbenzene 10.28
    MIBK 17.22
    2-propoxyethanol 33.18
    tert-butanol 4.66
    MTBE 7.5
    2-butoxyethanol 26.61
    propionic acid 19.78
    o-xylene 12.28
    formic acid 17.55
    diethyl ether 14.28
    m-xylene 13.95
    p-xylene 12.69
    chlorobenzene 58.13
    dimethyl carbonate 17.72
    n-octane 0.88
    formamide 20.78
    cyclopentanone 81.49
    2-pentanone 28.64
    anisole 19.21
    cyclopentyl methyl ether 36.17
    gamma-butyrolactone 81.67
    1-methoxy-2-propanol 22.3
    pyridine 89.13
    3-pentanone 27.4
    furfural 86.72
    n-dodecane 0.67
    diethylene glycol 20.56
    diisopropyl ether 3.31
    tert-amyl alcohol 8.45
    acetylacetone 25.02
    n-hexadecane 0.77
    acetophenone 24.47
    methyl propionate 24.81
    isopentyl acetate 17.12
    trichloroethylene 264.35
    n-nonanol 7.9
    cyclohexanol 17.47
    benzyl alcohol 27.69
    2-ethylhexanol 9.63
    isooctanol 9.31
    dipropyl ether 11.65
    1,2-dichlorobenzene 44.49
    ethyl lactate 12.75
    propylene carbonate 37.35
    n-methylformamide 21.74
    2-pentanol 8.79
    n-pentane 1.35
    1-propoxy-2-propanol 20.09
    1-methoxy-2-propyl acetate 20.31
    2-(2-methoxypropoxy) propanol 20.88
    mesitylene 5.06
    ε-caprolactone 49.41
    p-cymene 6.4
    epichlorohydrin 179.87
    1,1,1-trichloroethane 62.01
    2-aminoethanol 8.67
    morpholine-4-carbaldehyde 47.24
    sulfolane 76.41
    2,2,4-trimethylpentane 1.0
    2-methyltetrahydrofuran 52.47
    n-hexyl acetate 15.31
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 28.19
    sec-butyl acetate 11.8
    tert-butyl acetate 10.58
    decalin 1.42
    glycerin 10.33
    diglyme 53.3
    acrylic acid 23.13
    isopropyl myristate 6.48
    n-butyric acid 28.84
    acetyl acetate 11.86
    di(2-ethylhexyl) phthalate 11.42
    ethyl propionate 15.22
    nitromethane 38.57
    1,2-diethoxyethane 20.35
    benzonitrile 24.68
    trioctyl phosphate 6.95
    1-bromopropane 48.57
    gamma-valerolactone 96.65
    n-decanol 5.79
    triethyl phosphate 11.23
    4-methyl-2-pentanol 6.42
    propionitrile 13.22
    vinylene carbonate 46.05
    1,1,2-trichlorotrifluoroethane 99.93
    DMS 15.45
    cumene 6.67
    2-octanol 5.84
    2-hexanone 21.85
    octyl acetate 9.22
    limonene 7.63
    1,2-dimethoxyethane 44.24
    ethyl orthosilicate 11.56
    tributyl phosphate 8.25
    diacetone alcohol 16.38
    N,N-dimethylaniline 13.08
    acrylonitrile 18.54
    aniline 37.67
    1,3-propanediol 13.89
    bromobenzene 58.39
    dibromomethane 161.29
    1,1,2,2-tetrachloroethane 182.38
    2-methyl-cyclohexyl acetate 16.42
    tetrabutyl urea 10.74
    diisobutyl methanol 4.41
    2-phenylethanol 22.7
    styrene 13.51
    dioctyl adipate 12.13
    dimethyl sulfate 28.4
    ethyl butyrate 14.9
    methyl lactate 16.61
    butyl lactate 16.76
    diethyl carbonate 11.61
    propanediol butyl ether 14.31
    triethyl orthoformate 14.74
    p-tert-butyltoluene 4.93
    methyl 4-tert-butylbenzoate 20.38
    morpholine 50.14
    tert-butylamine 3.01
    n-dodecanol 4.26
    dimethoxymethane 39.49
    ethylene carbonate 35.12
    cyrene 30.4
    2-ethoxyethyl acetate 28.91
    2-ethylhexyl acetate 14.8
    1,2,4-trichlorobenzene 54.83
    4-methylpyridine 60.1
    dibutyl ether 9.12
    2,6-dimethyl-4-heptanol 4.41
    DEF 28.81
    dimethyl isosorbide 38.35
    tetrachloroethylene 122.82
    eugenol 24.07
    triacetin 18.89
    span 80 16.51
    1,4-butanediol 8.5
    1,1-dichloroethane 79.1
    2-methyl-1-pentanol 16.77
    methyl formate 25.76
    2-methyl-1-butanol 17.36
    n-decane 1.27
    butyronitrile 15.4
    3,7-dimethyl-1-octanol 6.99
    1-chlorooctane 6.02
    1-chlorotetradecane 2.25
    n-nonane 1.07
    undecane 0.88
    tert-butylcyclohexane 1.05
    cyclooctane 0.92
    cyclopentanol 19.53
    tetrahydropyran 47.0
    tert-amyl methyl ether 10.35
    2,5,8-trioxanonane 35.21
    1-hexene 6.23
    2-isopropoxyethanol 23.22
    2,2,2-trifluoroethanol 17.88
    methyl butyrate 20.86

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction