2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid

C15H12N2O2S — CID 79217746

IUPAC2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
SMILESCSc1ccccc1-c1nc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C15H12N2O2S/c1-20-13-5-3-2-4-10(13)14-16-11-7-6-9(15(18)19)8-12(11)17-14/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyNAEUGHBQWYHAEU-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.65
Rot. Bonds3

About 2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid

2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 79217746) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID79217746
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
SMILESCSc1ccccc1-c1nc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C15H12N2O2S/c1-20-13-5-3-2-4-10(13)14-16-11-7-6-9(15(18)19)8-12(11)17-14/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyNAEUGHBQWYHAEU-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

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Related Compounds

2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 46990564
2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 11738240
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 79217954
2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370419
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 67112516
2-(1H-benzimidazol-2-yl)terephthalic acid
CID 6395633
2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 156760820
2-(5-fluoro-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
CID 104639134
2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370448

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid (CID 79217746) is 2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid is CSc1ccccc1-c1nc2ccc(C(=O)O)cc2[nH]1.
What is the InChIKey of 2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is NAEUGHBQWYHAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-20-13-5-3-2-4-10(13)14-16-11-7-6-9(15(18)19)8-12(11)17-14/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid?
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-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)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 79217746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).