4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole

C10H12N2O4S2 — CID 82007940

IUPAC4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole
SMILESCS(=O)(=O)Cc1nc2c(S(C)(=O)=O)cccc2[nH]1
InChIInChI=1S/C10H12N2O4S2/c1-17(13,14)6-9-11-7-4-3-5-8(10(7)12-9)18(2,15)16/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyZGHPGVBXMCTUGW-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.51
Rot. Bonds3

About 4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole

4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole (PubChem CID 82007940) has the molecular formula C10H12N2O4S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole
PubChem CID82007940
Molecular FormulaC10H12N2O4S2
Molecular Weight288.35 g/mol
Exact Mass288.02
IUPAC Name4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole
SMILESCS(=O)(=O)Cc1nc2c(S(C)(=O)=O)cccc2[nH]1
InChIInChI=1S/C10H12N2O4S2/c1-17(13,14)6-9-11-7-4-3-5-8(10(7)12-9)18(2,15)16/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyZGHPGVBXMCTUGW-UHFFFAOYSA-N
XLogP0.51
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methylsulfonyl-2-(methylsulfonylmethyl)-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 4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole?
The IUPAC name of 4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole (CID 82007940) is 4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole.
What is the SMILES notation for 4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole?
The canonical SMILES for 4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole is CS(=O)(=O)Cc1nc2c(S(C)(=O)=O)cccc2[nH]1.
What is the InChIKey of 4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole?
The InChIKey is ZGHPGVBXMCTUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S2/c1-17(13,14)6-9-11-7-4-3-5-8(10(7)12-9)18(2,15)16/h3-5H,6H2,1-2H3,(H,11,12).
What are the key properties of 4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole?
4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole has a molecular weight of 288.35 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole is sourced from PubChem (CID 82007940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).