1-(4-methylphenyl)sulfonylbenzimidazole

C14H12N2O2S — CID 746711

IUPAC1-(4-methylphenyl)sulfonylbenzimidazole
SMILESCc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C14H12N2O2S/c1-11-6-8-12(9-7-11)19(17,18)16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3
InChIKeyRVEFLPWSRYGYOL-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.58
Rot. Bonds2

About 1-(4-methylphenyl)sulfonylbenzimidazole

1-(4-methylphenyl)sulfonylbenzimidazole (PubChem CID 746711) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylbenzimidazole
PubChem CID746711
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name1-(4-methylphenyl)sulfonylbenzimidazole
SMILESCc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C14H12N2O2S/c1-11-6-8-12(9-7-11)19(17,18)16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3
InChIKeyRVEFLPWSRYGYOL-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-(4-methylphenyl)sulfonylbenzimidazole 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-(4-methylphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(4-methylphenyl)sulfonylbenzimidazole (CID 746711) is 1-(4-methylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(4-methylphenyl)sulfonylbenzimidazole is Cc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylbenzimidazole?
The InChIKey is RVEFLPWSRYGYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-11-6-8-12(9-7-11)19(17,18)16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylbenzimidazole?
1-(4-methylphenyl)sulfonylbenzimidazole 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-(4-methylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 746711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).