2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile

C15H10ClN3S — CID 5145216

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccccc1CSc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H10ClN3S/c16-12-5-6-13-14(7-12)19-15(18-13)20-9-11-4-2-1-3-10(11)8-17/h1-7H,9H2,(H,18,19)
InChIKeyVYWZRWHOASXUHL-UHFFFAOYSA-N
MW299.79 g/mol
LogP4.38
Rot. Bonds3

About 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile (PubChem CID 5145216) has the molecular formula C15H10ClN3S and a molecular weight of 299.79 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile
PubChem CID5145216
Molecular FormulaC15H10ClN3S
Molecular Weight299.79 g/mol
Exact Mass299.03
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccccc1CSc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H10ClN3S/c16-12-5-6-13-14(7-12)19-15(18-13)20-9-11-4-2-1-3-10(11)8-17/h1-7H,9H2,(H,18,19)
InChIKeyVYWZRWHOASXUHL-UHFFFAOYSA-N
XLogP4.38
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.79
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile 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

2-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile;hydrobromide
CID 20997813
3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile
CID 75397691
2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-chloroaniline
CID 14064658
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzonitrile
CID 4666208
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 653645
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135467361
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 134065477
2-(naphthalen-1-ylmethylsulfanyl)-6-nitro-1H-benzimidazole
CID 126394786
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methylquinazolin-4-one
CID 34173298
3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 47364515
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile
CID 728267
4-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-7,8-dimethylchromen-2-one
CID 4574638

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile (CID 5145216) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile is N#Cc1ccccc1CSc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile?
The InChIKey is VYWZRWHOASXUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3S/c16-12-5-6-13-14(7-12)19-15(18-13)20-9-11-4-2-1-3-10(11)8-17/h1-7H,9H2,(H,18,19).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile has a molecular weight of 299.79 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile is sourced from PubChem (CID 5145216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).