3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid

C21H16N2O2 — CID 157085723

IUPAC3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid
SMILESCn1cnc2cc(-c3ccc(-c4ccccc4)cc3)cc(C(=O)O)c21
InChIInChI=1S/C21H16N2O2/c1-23-13-22-19-12-17(11-18(20(19)23)21(24)25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25)
InChIKeyQWOOPOVRJZRDTP-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.61
Rot. Bonds3

About 3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid

3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid (PubChem CID 157085723) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid
PubChem CID157085723
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid
SMILESCn1cnc2cc(-c3ccc(-c4ccccc4)cc3)cc(C(=O)O)c21
InChIInChI=1S/C21H16N2O2/c1-23-13-22-19-12-17(11-18(20(19)23)21(24)25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25)
InChIKeyQWOOPOVRJZRDTP-UHFFFAOYSA-N
XLogP4.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-phenylbenzimidazole
CID 135028518
2-ethynyl-5-phenylbenzene-1,3-dicarboxylic acid
CID 150211011
3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid
CID 85468922
3-methyl-4-phenylimidazo[4,5-c]pyridin-6-amine
CID 105481953
N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide
CID 134809089
4-(4-phenylphenyl)-7,8-diazabicyclo[4.2.0]octa-1,3,5,7-tetraene-2-carboxylic acid
CID 123149858
6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3-methylbenzimidazole-4-carboxylic acid;6-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylbenzotriazole-4-carboxylic acid;2-methyl-6-[4-(2-methylphenyl)phenyl]benzotriazole-4-carboxamide;3-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazole-4-carboxylic acid;2-methyl-6-[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid
CID 159075692
3-methyl-4-nitrobenzimidazole-5-carboxylic acid
CID 130407383
7-bromo-1-methylbenzimidazole-5-carboxylic acid
CID 75487801
2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492
3-methylimidazo[4,5-c]pyridine-4-carboxylic acid
CID 84655857
1-methyl-5-oxo-4H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 82402350

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid (CID 157085723) is 3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid is Cn1cnc2cc(-c3ccc(-c4ccccc4)cc3)cc(C(=O)O)c21.
What is the InChIKey of 3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid?
The InChIKey is QWOOPOVRJZRDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-23-13-22-19-12-17(11-18(20(19)23)21(24)25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25).
What are the key properties of 3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid?
3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-phenylphenyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 157085723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).