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

C22H18N2O3 — CID 46946582

IUPAC2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid
SMILESCOc1cc(-c2ccccc2)ccc1-c1nc2c(C(=O)O)cc(C)cc2[nH]1
InChIInChI=1S/C22H18N2O3/c1-13-10-17(22(25)26)20-18(11-13)23-21(24-20)16-9-8-15(12-19(16)27-2)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyPMOVQFKXGQTFNI-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.91
Rot. Bonds4

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

2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid (PubChem CID 46946582) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid
PubChem CID46946582
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid
SMILESCOc1cc(-c2ccccc2)ccc1-c1nc2c(C(=O)O)cc(C)cc2[nH]1
InChIInChI=1S/C22H18N2O3/c1-13-10-17(22(25)26)20-18(11-13)23-21(24-20)16-9-8-15(12-19(16)27-2)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyPMOVQFKXGQTFNI-UHFFFAOYSA-N
XLogP4.91
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid (CID 46946582) is 2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid is COc1cc(-c2ccccc2)ccc1-c1nc2c(C(=O)O)cc(C)cc2[nH]1.
What is the InChIKey of 2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid?
The InChIKey is PMOVQFKXGQTFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-13-10-17(22(25)26)20-18(11-13)23-21(24-20)16-9-8-15(12-19(16)27-2)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid?
2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-phenylphenyl)-6-methyl-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 46946582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).