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

C15H11FN2O2 — CID 81477808

IUPAC2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cccc(-c2nc3c(C(=O)O)cccc3[nH]2)c1F
InChIInChI=1S/C15H11FN2O2/c1-8-4-2-5-9(12(8)16)14-17-11-7-3-6-10(15(19)20)13(11)18-14/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyIUENDHAIYVAJLY-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.38
Rot. Bonds2

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

2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 81477808) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID81477808
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cccc(-c2nc3c(C(=O)O)cccc3[nH]2)c1F
InChIInChI=1S/C15H11FN2O2/c1-8-4-2-5-9(12(8)16)14-17-11-7-3-6-10(15(19)20)13(11)18-14/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyIUENDHAIYVAJLY-UHFFFAOYSA-N
XLogP3.38
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluoro-3-methylphenyl)-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-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 79217954
2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide
CID 155676753
2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 63032984
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
2-(2-bromo-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81111649
2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 106861840
2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylic acid
CID 55150088
2-(3-methylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 63030741
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812
2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63017459
2-(2-chlorofuran-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 106688351

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 81477808) is 2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid is Cc1cccc(-c2nc3c(C(=O)O)cccc3[nH]2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is IUENDHAIYVAJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-8-4-2-5-9(12(8)16)14-17-11-7-3-6-10(15(19)20)13(11)18-14/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 81477808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).