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

C20H13ClN2O2 — CID 46946379

IUPAC6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12
InChIInChI=1S/C20H13ClN2O2/c21-15-10-16(20(24)25)18-17(11-15)22-19(23-18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25)
InChIKeyOIBOLCUBBRZPIV-UHFFFAOYSA-N
MW348.79 g/mol
LogP5.25
Rot. Bonds3

About 6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid

6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 46946379) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID46946379
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC Name6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12
InChIInChI=1S/C20H13ClN2O2/c21-15-10-16(20(24)25)18-17(11-15)22-19(23-18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25)
InChIKeyOIBOLCUBBRZPIV-UHFFFAOYSA-N
XLogP5.25
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.79
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 46946379) is 6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12.
What is the InChIKey of 6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is OIBOLCUBBRZPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c21-15-10-16(20(24)25)18-17(11-15)22-19(23-18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25).
What are the key properties of 6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 348.79 g/mol, XLogP of 5.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 46946379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).