2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid

C15H11ClN2O2 — CID 106861840

IUPAC2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)c(Cl)c1
InChIInChI=1S/C15H11ClN2O2/c1-8-5-6-9(11(16)7-8)14-17-12-4-2-3-10(15(19)20)13(12)18-14/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyQRYXFPCZPSVXBX-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.89
Rot. Bonds2

About 2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid

2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 106861840) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID106861840
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)c(Cl)c1
InChIInChI=1S/C15H11ClN2O2/c1-8-5-6-9(11(16)7-8)14-17-12-4-2-3-10(15(19)20)13(12)18-14/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyQRYXFPCZPSVXBX-UHFFFAOYSA-N
XLogP3.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81111649
2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63017459
2-(5-bromo-2-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 63399662
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812
2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 106688351
2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81477808
2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylic acid
CID 55150088
2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 107989442
2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 79217954
4-chloro-2-(2,5-dimethylphenyl)-1H-benzimidazole
CID 64723918
2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 63032984

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 106861840) is 2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid is Cc1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is QRYXFPCZPSVXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-8-5-6-9(11(16)7-8)14-17-12-4-2-3-10(15(19)20)13(12)18-14/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 286.72 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 106861840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).