2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid

C15H12N2O2 — CID 63032812

IUPAC2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cccc(-c2nc3c(C(=O)O)cccc3[nH]2)c1
InChIInChI=1S/C15H12N2O2/c1-9-4-2-5-10(8-9)14-16-12-7-3-6-11(15(18)19)13(12)17-14/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyULOVTUYURBOKMH-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.24
Rot. Bonds2

About 2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid

2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 63032812) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID63032812
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cccc(-c2nc3c(C(=O)O)cccc3[nH]2)c1
InChIInChI=1S/C15H12N2O2/c1-9-4-2-5-10(8-9)14-16-12-7-3-6-11(15(18)19)13(12)17-14/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyULOVTUYURBOKMH-UHFFFAOYSA-N
XLogP3.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 63032812) is 2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid is Cc1cccc(-c2nc3c(C(=O)O)cccc3[nH]2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is ULOVTUYURBOKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-4-2-5-10(8-9)14-16-12-7-3-6-11(15(18)19)13(12)17-14/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 63032812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).