2-methyl-6-[4-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid

C22H18N2O2 — CID 146525397

IUPAC2-methyl-6-[4-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
SMILESCc1cccc(-c2ccc(-c3cc(C(=O)O)c4nc(C)[nH]c4c3)cc2)c1
InChIInChI=1S/C22H18N2O2/c1-13-4-3-5-17(10-13)15-6-8-16(9-7-15)18-11-19(22(25)26)21-20(12-18)23-14(2)24-21/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyFCTIFTJVCAIDRY-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.21
Rot. Bonds3

About 2-methyl-6-[4-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid

2-methyl-6-[4-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 146525397) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methyl-6-[4-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[4-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
PubChem CID146525397
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-methyl-6-[4-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
SMILESCc1cccc(-c2ccc(-c3cc(C(=O)O)c4nc(C)[nH]c4c3)cc2)c1
InChIInChI=1S/C22H18N2O2/c1-13-4-3-5-17(10-13)15-6-8-16(9-7-15)18-11-19(22(25)26)21-20(12-18)23-14(2)24-21/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyFCTIFTJVCAIDRY-UHFFFAOYSA-N
XLogP5.21
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.21
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-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-6-[4-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid (CID 146525397) is 2-methyl-6-[4-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[4-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-[4-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid is Cc1cccc(-c2ccc(-c3cc(C(=O)O)c4nc(C)[nH]c4c3)cc2)c1.
What is the InChIKey of 2-methyl-6-[4-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is FCTIFTJVCAIDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-13-4-3-5-17(10-13)15-6-8-16(9-7-15)18-11-19(22(25)26)21-20(12-18)23-14(2)24-21/h3-12H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-methyl-6-[4-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
2-methyl-6-[4-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 5.21, 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-(3-methylphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 146525397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).