1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid

C13H14N2O4 — CID 82302613

IUPAC1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)nc2C)c(OC)c1
InChIInChI=1S/C13H14N2O4/c1-8-14-10(13(16)17)7-15(8)11-5-4-9(18-2)6-12(11)19-3/h4-7H,1-3H3,(H,16,17)
InChIKeyUZWMFMQXCYXLHI-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.90
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid

1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid (PubChem CID 82302613) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid
PubChem CID82302613
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)nc2C)c(OC)c1
InChIInChI=1S/C13H14N2O4/c1-8-14-10(13(16)17)7-15(8)11-5-4-9(18-2)6-12(11)19-3/h4-7H,1-3H3,(H,16,17)
InChIKeyUZWMFMQXCYXLHI-UHFFFAOYSA-N
XLogP1.90
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid
CID 82480116
1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229
1-(2-methoxy-4-methylphenyl)-2,4-dimethylimidazole
CID 91609134
6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 42878553
2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946721
5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid
CID 82365358
1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82422070
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3571662
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid
CID 82301544
5-methoxy-2-(2-methylimidazol-1-yl)benzoic acid
CID 84695425

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid (CID 82302613) is 1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid is COc1ccc(-n2cc(C(=O)O)nc2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid?
The InChIKey is UZWMFMQXCYXLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-14-10(13(16)17)7-15(8)11-5-4-9(18-2)6-12(11)19-3/h4-7H,1-3H3,(H,16,17).
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid?
1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 82302613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).