1-(benzenesulfonyl)-2-methylbenzimidazole

C14H12N2O2S — CID 3468368

IUPAC1-(benzenesulfonyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c1-11-15-13-9-5-6-10-14(13)16(11)19(17,18)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyGUJLXUMHXVNKEY-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.58
Rot. Bonds2

About 1-(benzenesulfonyl)-2-methylbenzimidazole

1-(benzenesulfonyl)-2-methylbenzimidazole (PubChem CID 3468368) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-methylbenzimidazole
PubChem CID3468368
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name1-(benzenesulfonyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c1-11-15-13-9-5-6-10-14(13)16(11)19(17,18)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyGUJLXUMHXVNKEY-UHFFFAOYSA-N
XLogP2.58
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-2-methylbenzimidazole 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 1-(benzenesulfonyl)-2-methylbenzimidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-methylbenzimidazole (CID 3468368) is 1-(benzenesulfonyl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-methylbenzimidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-methylbenzimidazole is Cc1nc2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-methylbenzimidazole?
The InChIKey is GUJLXUMHXVNKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-11-15-13-9-5-6-10-14(13)16(11)19(17,18)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-methylbenzimidazole?
1-(benzenesulfonyl)-2-methylbenzimidazole has a molecular weight of 272.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-methylbenzimidazole is sourced from PubChem (CID 3468368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).