2-benzyl-6-methylsulfonyl-1H-benzimidazole

C15H14N2O2S — CID 62067786

IUPAC2-benzyl-6-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C15H14N2O2S/c1-20(18,19)12-7-8-13-14(10-12)17-15(16-13)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyYRJWQGQIGHEMPB-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.56
Rot. Bonds3

About 2-benzyl-6-methylsulfonyl-1H-benzimidazole

2-benzyl-6-methylsulfonyl-1H-benzimidazole (PubChem CID 62067786) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-benzyl-6-methylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name2-benzyl-6-methylsulfonyl-1H-benzimidazole
PubChem CID62067786
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-benzyl-6-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C15H14N2O2S/c1-20(18,19)12-7-8-13-14(10-12)17-15(16-13)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyYRJWQGQIGHEMPB-UHFFFAOYSA-N
XLogP2.56
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-6-methylsulfonyl-1H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methylsulfonyl-1H-benzimidazole?
The IUPAC name of 2-benzyl-6-methylsulfonyl-1H-benzimidazole (CID 62067786) is 2-benzyl-6-methylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 2-benzyl-6-methylsulfonyl-1H-benzimidazole?
The canonical SMILES for 2-benzyl-6-methylsulfonyl-1H-benzimidazole is CS(=O)(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-benzyl-6-methylsulfonyl-1H-benzimidazole?
The InChIKey is YRJWQGQIGHEMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-20(18,19)12-7-8-13-14(10-12)17-15(16-13)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of 2-benzyl-6-methylsulfonyl-1H-benzimidazole?
2-benzyl-6-methylsulfonyl-1H-benzimidazole has a molecular weight of 286.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 62067786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).