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

C20H14N2O2 — CID 46945388

IUPAC2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12
InChIInChI=1S/C20H14N2O2/c23-20(24)16-7-4-8-17-18(16)22-19(21-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H,23,24)
InChIKeyPQUMFZORRCNBES-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.60
Rot. Bonds3

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

2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 46945388) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID46945388
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12
InChIInChI=1S/C20H14N2O2/c23-20(24)16-7-4-8-17-18(16)22-19(21-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H,23,24)
InChIKeyPQUMFZORRCNBES-UHFFFAOYSA-N
XLogP4.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 46945388) is 2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12.
What is the InChIKey of 2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is PQUMFZORRCNBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20(24)16-7-4-8-17-18(16)22-19(21-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H,23,24).
What are the key properties of 2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 46945388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).