6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid

C19H12FN3O2 — CID 46946983

IUPAC6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12
InChIInChI=1S/C19H12FN3O2/c20-14-8-15(19(24)25)17-16(9-14)22-18(23-17)12-5-3-11(4-6-12)13-2-1-7-21-10-13/h1-10H,(H,22,23)(H,24,25)
InChIKeyFCOBGDQSHXUNQQ-UHFFFAOYSA-N
MW333.32 g/mol
LogP4.13
Rot. Bonds3

About 6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid

6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 46946983) has the molecular formula C19H12FN3O2 and a molecular weight of 333.32 g/mol. Its IUPAC name is 6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID46946983
Molecular FormulaC19H12FN3O2
Molecular Weight333.32 g/mol
Exact Mass333.09
IUPAC Name6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12
InChIInChI=1S/C19H12FN3O2/c20-14-8-15(19(24)25)17-16(9-14)22-18(23-17)12-5-3-11(4-6-12)13-2-1-7-21-10-13/h1-10H,(H,22,23)(H,24,25)
InChIKeyFCOBGDQSHXUNQQ-UHFFFAOYSA-N
XLogP4.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-(4-pyridin-3-ylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 46946983) is 6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12.
What is the InChIKey of 6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is FCOBGDQSHXUNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2/c20-14-8-15(19(24)25)17-16(9-14)22-18(23-17)12-5-3-11(4-6-12)13-2-1-7-21-10-13/h1-10H,(H,22,23)(H,24,25).
What are the key properties of 6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 333.32 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 46946983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).