1-benzyl-2-prop-2-enylsulfanylbenzimidazole

C17H16N2S — CID 46731894

IUPAC1-benzyl-2-prop-2-enylsulfanylbenzimidazole
SMILESC=CCSc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C17H16N2S/c1-2-12-20-17-18-15-10-6-7-11-16(15)19(17)13-14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKeyJVZADGSSWVIOMG-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.36
Rot. Bonds5

About 1-benzyl-2-prop-2-enylsulfanylbenzimidazole

1-benzyl-2-prop-2-enylsulfanylbenzimidazole (PubChem CID 46731894) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-benzyl-2-prop-2-enylsulfanylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-2-prop-2-enylsulfanylbenzimidazole
PubChem CID46731894
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name1-benzyl-2-prop-2-enylsulfanylbenzimidazole
SMILESC=CCSc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C17H16N2S/c1-2-12-20-17-18-15-10-6-7-11-16(15)19(17)13-14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKeyJVZADGSSWVIOMG-UHFFFAOYSA-N
XLogP4.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-benzyl-2-prop-2-enylsulfanylbenzimidazole 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
1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole
CID 39115837
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 46347454
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43220154
4-benzyl-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-one
CID 17434331
1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
CID 23610017
1-benzyl-2-chlorobenzimidazole
CID 3821987
4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide
CID 2947873
4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide
CID 177378840
6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 25330697
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4012996
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 7309454

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-prop-2-enylsulfanylbenzimidazole?
The IUPAC name of 1-benzyl-2-prop-2-enylsulfanylbenzimidazole (CID 46731894) is 1-benzyl-2-prop-2-enylsulfanylbenzimidazole.
What is the SMILES notation for 1-benzyl-2-prop-2-enylsulfanylbenzimidazole?
The canonical SMILES for 1-benzyl-2-prop-2-enylsulfanylbenzimidazole is C=CCSc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-prop-2-enylsulfanylbenzimidazole?
The InChIKey is JVZADGSSWVIOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-2-12-20-17-18-15-10-6-7-11-16(15)19(17)13-14-8-4-3-5-9-14/h2-11H,1,12-13H2.
What are the key properties of 1-benzyl-2-prop-2-enylsulfanylbenzimidazole?
1-benzyl-2-prop-2-enylsulfanylbenzimidazole has a molecular weight of 280.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-prop-2-enylsulfanylbenzimidazole is sourced from PubChem (CID 46731894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).