2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid

C13H14N2O4 — CID 63362576

IUPAC2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)c(C)[nH]2)c(OC)c1
InChIInChI=1S/C13H14N2O4/c1-7-11(13(16)17)15-12(14-7)9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyVXBVXYPPOLKAPH-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.10
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid

2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid (PubChem CID 63362576) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
PubChem CID63362576
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)c(C)[nH]2)c(OC)c1
InChIInChI=1S/C13H14N2O4/c1-7-11(13(16)17)15-12(14-7)9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyVXBVXYPPOLKAPH-UHFFFAOYSA-N
XLogP2.10
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carbaldehyde
CID 82295070
methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445134
2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 1036272
2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid
CID 121001392
4-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82485414
4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 152778061
2-(2,4-dimethoxyphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611623
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409878
5-(2,4-dimethoxyphenyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510708
4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490
2-(2,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373867

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid (CID 63362576) is 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid is COc1ccc(-c2nc(C(=O)O)c(C)[nH]2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid?
The InChIKey is VXBVXYPPOLKAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7-11(13(16)17)15-12(14-7)9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid?
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 63362576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).