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

C21H16N2O2 — CID 46945790

IUPAC6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C21H16N2O2/c1-13-11-17(21(24)25)19-18(12-13)22-20(23-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyXKLFYTKDXSVKQI-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.90
Rot. Bonds3

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

6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 46945790) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID46945790
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C21H16N2O2/c1-13-11-17(21(24)25)19-18(12-13)22-20(23-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyXKLFYTKDXSVKQI-UHFFFAOYSA-N
XLogP4.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 46945790) is 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid is Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is XKLFYTKDXSVKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-13-11-17(21(24)25)19-18(12-13)22-20(23-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 46945790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).