2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid

C12H12N2O3 — CID 45157073

IUPAC2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
SMILESCOc1cccc(-c2nc(C(=O)O)c(C)[nH]2)c1
InChIInChI=1S/C12H12N2O3/c1-7-10(12(15)16)14-11(13-7)8-4-3-5-9(6-8)17-2/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyAUDLYIASJFZXMS-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.09
Rot. Bonds3

About 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid

2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid (PubChem CID 45157073) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
PubChem CID45157073
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
SMILESCOc1cccc(-c2nc(C(=O)O)c(C)[nH]2)c1
InChIInChI=1S/C12H12N2O3/c1-7-10(12(15)16)14-11(13-7)8-4-3-5-9(6-8)17-2/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyAUDLYIASJFZXMS-UHFFFAOYSA-N
XLogP2.09
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid (CID 45157073) is 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid is COc1cccc(-c2nc(C(=O)O)c(C)[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid?
The InChIKey is AUDLYIASJFZXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-10(12(15)16)14-11(13-7)8-4-3-5-9(6-8)17-2/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid?
2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 45157073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).