2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole

C21H20N2S — CID 882682

IUPAC2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole
SMILESCCSc1nc2ccccc2n1Cc1c(C)ccc2ccccc12
InChIInChI=1S/C21H20N2S/c1-3-24-21-22-19-10-6-7-11-20(19)23(21)14-18-15(2)12-13-16-8-4-5-9-17(16)18/h4-13H,3,14H2,1-2H3
InChIKeyVOOZHULHKOJUMM-UHFFFAOYSA-N
MW332.47 g/mol
LogP5.66
Rot. Bonds4

About 2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole

2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole (PubChem CID 882682) has the molecular formula C21H20N2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole
PubChem CID882682
Molecular FormulaC21H20N2S
Molecular Weight332.47 g/mol
Exact Mass332.13
IUPAC Name2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole
SMILESCCSc1nc2ccccc2n1Cc1c(C)ccc2ccccc12
InChIInChI=1S/C21H20N2S/c1-3-24-21-22-19-10-6-7-11-20(19)23(21)14-18-15(2)12-13-16-8-4-5-9-17(16)18/h4-13H,3,14H2,1-2H3
InChIKeyVOOZHULHKOJUMM-UHFFFAOYSA-N
XLogP5.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.47
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-2-ethylsulfanylbenzimidazole
CID 700789
N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine
CID 4737436
2-methylsulfanyl-1-[[2,4,6-trimethyl-3-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 102098034
(2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
CID 880169
2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide
CID 817609
1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 804558
N-(2-ethyl-6-methylphenyl)-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide
CID 1327709
2-ethylsulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 2086040
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
ethyl 1-(2-methoxyethyl)-2-[(2-methylnaphthalen-1-yl)methylsulfanyl]benzimidazole-5-carboxylate
CID 46101871
1-[(2,5-dimethylphenyl)methyl]-2-phenylsulfanylbenzimidazole
CID 90026832
1-ethyl-2-hydroxysulfanylbenzimidazole
CID 143815190

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole?
The IUPAC name of 2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole (CID 882682) is 2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole.
What is the SMILES notation for 2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole?
The canonical SMILES for 2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole is CCSc1nc2ccccc2n1Cc1c(C)ccc2ccccc12.
What is the InChIKey of 2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole?
The InChIKey is VOOZHULHKOJUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2S/c1-3-24-21-22-19-10-6-7-11-20(19)23(21)14-18-15(2)12-13-16-8-4-5-9-17(16)18/h4-13H,3,14H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole?
2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole has a molecular weight of 332.47 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole is sourced from PubChem (CID 882682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).