3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid

C14H16N2O4S — CID 103551644

IUPAC3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)c1ccc2nc(C3CCC(C(=O)O)C3)[nH]c2c1
InChIInChI=1S/C14H16N2O4S/c1-21(19,20)10-4-5-11-12(7-10)16-13(15-11)8-2-3-9(6-8)14(17)18/h4-5,7-9H,2-3,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyBPTOZPMPRSPECG-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.93
Rot. Bonds3

About 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid

3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 103551644) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
PubChem CID103551644
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)c1ccc2nc(C3CCC(C(=O)O)C3)[nH]c2c1
InChIInChI=1S/C14H16N2O4S/c1-21(19,20)10-4-5-11-12(7-10)16-13(15-11)8-2-3-9(6-8)14(17)18/h4-5,7-9H,2-3,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyBPTOZPMPRSPECG-UHFFFAOYSA-N
XLogP1.93
TPSA100.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid 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

3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 66032188
3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551613
6-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 62069300
3-(6-methylsulfonyl-1H-benzimidazol-2-yl)thiolane 1,1-dioxide
CID 64905799
2-(2-methylpyrrolidin-3-yl)-6-methylsulfonyl-1H-benzimidazole
CID 79364223
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551600
5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117431127
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6-methylsulfonyl-1H-benzimidazole
CID 66394776
2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride
CID 82502367
2-methyl-3-(6-methylsulfonyl-1H-benzimidazol-2-yl)butanoic acid
CID 103499880
ethyl 6-methylsulfonyl-1H-benzimidazole-2-carboxylate
CID 63357941

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid (CID 103551644) is 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid is CS(=O)(=O)c1ccc2nc(C3CCC(C(=O)O)C3)[nH]c2c1.
What is the InChIKey of 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is BPTOZPMPRSPECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-21(19,20)10-4-5-11-12(7-10)16-13(15-11)8-2-3-9(6-8)14(17)18/h4-5,7-9H,2-3,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid?
3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).