2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid

C15H12N2O2S — CID 79217954

IUPAC2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCSc1ccccc1-c1nc2c(C(=O)O)cccc2[nH]1
InChIInChI=1S/C15H12N2O2S/c1-20-12-8-3-2-5-9(12)14-16-11-7-4-6-10(15(18)19)13(11)17-14/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyOPFJWXSENAJXSL-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.65
Rot. Bonds3

About 2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid

2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 79217954) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID79217954
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCSc1ccccc1-c1nc2c(C(=O)O)cccc2[nH]1
InChIInChI=1S/C15H12N2O2S/c1-20-12-8-3-2-5-9(12)14-16-11-7-4-6-10(15(18)19)13(11)17-14/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyOPFJWXSENAJXSL-UHFFFAOYSA-N
XLogP3.65
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-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

2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81477808
2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746
2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 106688351
2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 106861840
2-(2-bromo-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81111649
2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylic acid
CID 55150088
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812
2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide
CID 155676753
2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63017459
2-tert-butyl-1H-benzimidazole-4-carboxylic acid
CID 58856136
2-propan-2-yl-1H-benzimidazole-4-carboxylic acid
CID 58932987

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 79217954) is 2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid is CSc1ccccc1-c1nc2c(C(=O)O)cccc2[nH]1.
What is the InChIKey of 2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is OPFJWXSENAJXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-20-12-8-3-2-5-9(12)14-16-11-7-4-6-10(15(18)19)13(11)17-14/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid?
2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 79217954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).