6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid

C20H15N3O2 — CID 46946985

IUPAC6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2c1
InChIInChI=1S/C20H15N3O2/c1-12-9-16(20(24)25)18-17(10-12)22-19(23-18)14-6-4-13(5-7-14)15-3-2-8-21-11-15/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyAFOJUWLVLGDVMP-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.30
Rot. Bonds3

About 6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid

6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 46946985) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID46946985
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2c1
InChIInChI=1S/C20H15N3O2/c1-12-9-16(20(24)25)18-17(10-12)22-19(23-18)14-6-4-13(5-7-14)15-3-2-8-21-11-15/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyAFOJUWLVLGDVMP-UHFFFAOYSA-N
XLogP4.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 46946985) is 6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid is Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is AFOJUWLVLGDVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-12-9-16(20(24)25)18-17(10-12)22-19(23-18)14-6-4-13(5-7-14)15-3-2-8-21-11-15/h2-11H,1H3,(H,22,23)(H,24,25).
What are the key properties of 6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 46946985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).