4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid

C13H14N2O3 — CID 82086061

IUPAC4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid
SMILESCOc1ccc(C)cc1-c1cn(C)c(C(=O)O)n1
InChIInChI=1S/C13H14N2O3/c1-8-4-5-11(18-3)9(6-8)10-7-15(2)12(14-10)13(16)17/h4-7H,1-3H3,(H,16,17)
InChIKeyZACRDLLKDZUUEJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.10
Rot. Bonds3

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

4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid (PubChem CID 82086061) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid
PubChem CID82086061
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid
SMILESCOc1ccc(C)cc1-c1cn(C)c(C(=O)O)n1
InChIInChI=1S/C13H14N2O3/c1-8-4-5-11(18-3)9(6-8)10-7-15(2)12(14-10)13(16)17/h4-7H,1-3H3,(H,16,17)
InChIKeyZACRDLLKDZUUEJ-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3333704
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
CID 82294071
4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 28799435
5-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82085728
2-amino-6-(2-methoxy-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82555678
3-amino-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82356044
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
6-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 90105150
2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82091190
2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid
CID 4024988
4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine
CID 116896903

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid (CID 82086061) is 4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid is COc1ccc(C)cc1-c1cn(C)c(C(=O)O)n1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid?
The InChIKey is ZACRDLLKDZUUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-4-5-11(18-3)9(6-8)10-7-15(2)12(14-10)13(16)17/h4-7H,1-3H3,(H,16,17).
What are the key properties of 4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid?
4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid is sourced from PubChem (CID 82086061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).