2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid

C20H13FN2O2 — CID 46946187

IUPAC2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3F)nc12
InChIInChI=1S/C20H13FN2O2/c21-16-11-13(12-5-2-1-3-6-12)9-10-14(16)19-22-17-8-4-7-15(20(24)25)18(17)23-19/h1-11H,(H,22,23)(H,24,25)
InChIKeyAWUMAJRSVHKXFH-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.73
Rot. Bonds3

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

2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 46946187) has the molecular formula C20H13FN2O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID46946187
Molecular FormulaC20H13FN2O2
Molecular Weight332.33 g/mol
Exact Mass332.10
IUPAC Name2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3F)nc12
InChIInChI=1S/C20H13FN2O2/c21-16-11-13(12-5-2-1-3-6-12)9-10-14(16)19-22-17-8-4-7-15(20(24)25)18(17)23-19/h1-11H,(H,22,23)(H,24,25)
InChIKeyAWUMAJRSVHKXFH-UHFFFAOYSA-N
XLogP4.73
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 46946187) is 2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3F)nc12.
What is the InChIKey of 2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is AWUMAJRSVHKXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2/c21-16-11-13(12-5-2-1-3-6-12)9-10-14(16)19-22-17-8-4-7-15(20(24)25)18(17)23-19/h1-11H,(H,22,23)(H,24,25).
What are the key properties of 2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 332.33 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 46946187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).