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

C21H16N2O2 — CID 135313564

IUPAC2-methyl-6-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cc(-c3ccc(-c4ccccc4)cc3)cc2[nH]1
InChIInChI=1S/C21H16N2O2/c1-13-22-19-12-17(11-18(21(24)25)20(19)23-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyGPTLGNUGAWXKOX-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.90
Rot. Bonds3

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

2-methyl-6-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 135313564) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID135313564
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-methyl-6-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cc(-c3ccc(-c4ccccc4)cc3)cc2[nH]1
InChIInChI=1S/C21H16N2O2/c1-13-22-19-12-17(11-18(21(24)25)20(19)23-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyGPTLGNUGAWXKOX-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 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 135313564) is 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid is Cc1nc2c(C(=O)O)cc(-c3ccc(-c4ccccc4)cc3)cc2[nH]1.
What is the InChIKey of 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is GPTLGNUGAWXKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-13-22-19-12-17(11-18(21(24)25)20(19)23-13)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 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid?
2-methyl-6-(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 2-methyl-6-(4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 135313564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).