2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid

C16H14N2O3 — CID 63017459

IUPAC2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCOc1ccc(C)cc1-c1nc2c(C(=O)O)cccc2[nH]1
InChIInChI=1S/C16H14N2O3/c1-9-6-7-13(21-2)11(8-9)15-17-12-5-3-4-10(16(19)20)14(12)18-15/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyRLUHQKQIADKLDE-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.25
Rot. Bonds3

About 2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid

2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 63017459) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID63017459
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCOc1ccc(C)cc1-c1nc2c(C(=O)O)cccc2[nH]1
InChIInChI=1S/C16H14N2O3/c1-9-6-7-13(21-2)11(8-9)15-17-12-5-3-4-10(16(19)20)14(12)18-15/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyRLUHQKQIADKLDE-UHFFFAOYSA-N
XLogP3.25
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 63017459) is 2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid is COc1ccc(C)cc1-c1nc2c(C(=O)O)cccc2[nH]1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is RLUHQKQIADKLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-9-6-7-13(21-2)11(8-9)15-17-12-5-3-4-10(16(19)20)14(12)18-15/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid?
2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 63017459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).