Molecular formula
C20H17N3OS

SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)CSCC3=NC4=CC=CC=C4N3

Fragrance
Fruity	79.86%
Tropical	45.14%
Meaty	41.52%
Cooked	41.28%
Cheesy	40.13%
Roasted	35.56%
Grape	33.71%
Fatty	32.63%
Savory	32.31%
Ripe	32.25%

 

Flavor
Bitter	68.36%
Odorless	32.39%
Mild	24.78%
Roasted	21.55%
Scallion	21.06%
Nitrile	20.69%
Very strong	20.37%
Indole	19.98%
Moth ball	19.47%
Bread crust	19.33%

 

Odor impact est.
Low

XLogP3-AA
4.1

pKa est.
7.43 (neutral)

Molecular weight
347.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
1051°C

Flash point

• 285.46 ˚C est.

• 2-[(1h-benzimidazol-2-ylmethyl)sulfanyl]-n-(naphthalen-2-yl)acetamide
• CBKinase1_001497
• CBKinase1_013897
• Oprea1_190902
• MLS000571249
• SCHEMBL3506863
• CHEMBL1337210
• DTXSID80863655
• HMS2465F20
• STL335411
• AKOS022137046
• SMR000193616
• AB00101015-01
• AG-205/33150033
• SR-01000223507
• SR-01000223507-1
• 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-N-(2-naphthyl)acetamide
• 2-{[(1H-Benzimidazol-2-yl)methyl]sulfanyl}-N-(naphthalen-2-yl)acetamide

2-[(1h-Benzimidazol-2-ylmethyl)sulfanyl]-n-(naphthalen-2-yl)acetamide is commonly used as a synthetic intermediate in medicinal chemistry, providing a benzimidazole-containing scaffold for library generation and structure–activity relationship exploration. It is frequently evaluated as a building block in organic synthesis to assemble heterocyclic compounds. The thioether linkage and imidazole nitrogens offer coordination sites, making the molecule suitable as a ligand precursor in coordination chemistry and metal-catalyzed transformations. The 2-naphthyl substituent enables exploration as a dye or pigment precursor and as a functional component in specialty materials, including organic electronics or coatings. It may also serve as a versatile scaffold in polymer and materials research, where it can be incorporated into functional monomers or crosslinking strategies, subject to formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	4.32
methanol	5.16
isopropanol	1.24
water	0.09
ethyl acetate	0.88
n-propanol	3.09
acetone	2.96
n-butanol	2.44
acetonitrile	0.52
DMF	33.27
toluene	0.08
isobutanol	1.62
1,4-dioxane	4.45
methyl acetate	2.01
THF	24.84
2-butanone	4.8
n-pentanol	3.38
sec-butanol	2.03
n-hexane	0.02
ethylene glycol	3.42
NMP	16.43
cyclohexane	0.01
DMSO	31.75
n-butyl acetate	1.97
n-octanol	1.55
chloroform	0.78
n-propyl acetate	2.43
acetic acid	7.71
dichloromethane	1.03
cyclohexanone	6.21
propylene glycol	5.78
isopropyl acetate	0.75
DMAc	42.59
2-ethoxyethanol	22.5
isopentanol	1.84
n-heptane	0.04
ethyl formate	2.39
1,2-dichloroethane	0.73
n-hexanol	1.61
2-methoxyethanol	30.6
isobutyl acetate	1.9
tetrachloromethane	0.07
n-pentyl acetate	3.2
transcutol	72.98
n-heptanol	2.32
ethylbenzene	0.15
MIBK	1.54
2-propoxyethanol	15.47
tert-butanol	0.76
MTBE	0.48
2-butoxyethanol	14.71
propionic acid	3.89
o-xylene	0.06
formic acid	11.18
diethyl ether	0.46
m-xylene	0.07
p-xylene	0.25
chlorobenzene	0.39
dimethyl carbonate	1.73
n-octane	0.03
formamide	16.4
cyclopentanone	14.35
2-pentanone	2.3
anisole	1.31
cyclopentyl methyl ether	1.53
gamma-butyrolactone	13.58
1-methoxy-2-propanol	15.77
pyridine	3.79
3-pentanone	1.37
furfural	17.15
n-dodecane	0.05
diethylene glycol	16.53
diisopropyl ether	0.11
tert-amyl alcohol	1.28
acetylacetone	3.47
n-hexadecane	0.05
acetophenone	2.77
methyl propionate	1.66
isopentyl acetate	2.27
trichloroethylene	2.11
n-nonanol	1.92
cyclohexanol	1.01
benzyl alcohol	3.25
2-ethylhexanol	1.12
isooctanol	1.95
dipropyl ether	1.28
1,2-dichlorobenzene	0.5
ethyl lactate	4.6
propylene carbonate	4.66
n-methylformamide	9.8
2-pentanol	0.87
n-pentane	0.01
1-propoxy-2-propanol	8.92
1-methoxy-2-propyl acetate	4.03
2-(2-methoxypropoxy) propanol	15.4
mesitylene	0.05
ε-caprolactone	6.42
p-cymene	0.19
epichlorohydrin	15.54
1,1,1-trichloroethane	0.21
2-aminoethanol	7.24
morpholine-4-carbaldehyde	24.84
sulfolane	22.32
2,2,4-trimethylpentane	0.02
2-methyltetrahydrofuran	4.26
n-hexyl acetate	3.22
isooctane	0.01
2-(2-butoxyethoxy)ethanol	23.19
sec-butyl acetate	1.35
tert-butyl acetate	1.01
decalin	0.02
glycerin	16.15
diglyme	36.22
acrylic acid	5.54
isopropyl myristate	1.53
n-butyric acid	3.81
acetyl acetate	0.74
di(2-ethylhexyl) phthalate	3.4
ethyl propionate	1.66
nitromethane	11.76
1,2-diethoxyethane	7.25
benzonitrile	1.68
trioctyl phosphate	2.02
1-bromopropane	0.26
gamma-valerolactone	31.56
n-decanol	1.48
triethyl phosphate	1.89
4-methyl-2-pentanol	0.61
propionitrile	0.83
vinylene carbonate	4.62
1,1,2-trichlorotrifluoroethane	17.53
DMS	2.68
cumene	0.16
2-octanol	1.19
2-hexanone	4.15
octyl acetate	2.39
limonene	0.24
1,2-dimethoxyethane	22.12
ethyl orthosilicate	1.8
tributyl phosphate	2.31
diacetone alcohol	4.16
N,N-dimethylaniline	1.08
acrylonitrile	1.83
aniline	0.69
1,3-propanediol	9.82
bromobenzene	0.22
dibromomethane	0.38
1,1,2,2-tetrachloroethane	1.79
2-methyl-cyclohexyl acetate	2.61
tetrabutyl urea	4.23
diisobutyl methanol	0.55
2-phenylethanol	2.58
styrene	0.18
dioctyl adipate	4.26
dimethyl sulfate	4.01
ethyl butyrate	2.14
methyl lactate	5.5
butyl lactate	6.94
diethyl carbonate	1.67
propanediol butyl ether	14.69
triethyl orthoformate	2.82
p-tert-butyltoluene	0.16
methyl 4-tert-butylbenzoate	5.42
morpholine	8.95
tert-butylamine	0.22
n-dodecanol	1.1
dimethoxymethane	8.9
ethylene carbonate	2.85
cyrene	15.4
2-ethoxyethyl acetate	7.83
2-ethylhexyl acetate	1.74
1,2,4-trichlorobenzene	0.82
4-methylpyridine	1.75
dibutyl ether	1.88
2,6-dimethyl-4-heptanol	0.55
DEF	3.87
dimethyl isosorbide	17.99
tetrachloroethylene	1.09
eugenol	10.46
triacetin	7.26
span 80	10.66
1,4-butanediol	5.58
1,1-dichloroethane	0.25
2-methyl-1-pentanol	2.71
methyl formate	6.28
2-methyl-1-butanol	2.18
n-decane	0.07
butyronitrile	1.03
3,7-dimethyl-1-octanol	1.23
1-chlorooctane	0.37
1-chlorotetradecane	0.19
n-nonane	0.05
undecane	0.06
tert-butylcyclohexane	0.02
cyclooctane	0.0
cyclopentanol	2.39
tetrahydropyran	1.88
tert-amyl methyl ether	0.67
2,5,8-trioxanonane	26.56
1-hexene	0.2
2-isopropoxyethanol	10.55
2,2,2-trifluoroethanol	2.86
methyl butyrate	3.17

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