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

C12H12N2O4 — CID 82480116

IUPAC1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid
SMILESCOc1ccc(-n2cnc(C(=O)O)c2)c(OC)c1
InChIInChI=1S/C12H12N2O4/c1-17-8-3-4-10(11(5-8)18-2)14-6-9(12(15)16)13-7-14/h3-7H,1-2H3,(H,15,16)
InChIKeyNGPDKNWOMJNLON-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.59
Rot. Bonds4

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

1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid (PubChem CID 82480116) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid
PubChem CID82480116
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid
SMILESCOc1ccc(-n2cnc(C(=O)O)c2)c(OC)c1
InChIInChI=1S/C12H12N2O4/c1-17-8-3-4-10(11(5-8)18-2)14-6-9(12(15)16)13-7-14/h3-7H,1-2H3,(H,15,16)
InChIKeyNGPDKNWOMJNLON-UHFFFAOYSA-N
XLogP1.59
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid
CID 82302613
1-(4,5-dimethoxy-2-nitrophenyl)imidazole-4-carboxylic acid
CID 83004258
1-(3,4-dimethylphenyl)imidazole-4-carboxylic acid
CID 23444996
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
1-[(2-bromo-5-methoxyphenyl)methyl]imidazole-4-carboxylic acid
CID 106717011
1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid
CID 134530736
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 59528030
5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid
CID 82365358
2,4-dimethoxybenzoic acid
CID 7052
1-[3-cyano-4-(3-methoxyphenyl)phenyl]imidazole-4-carboxylic acid
CID 162647609
2,4-dimethoxybenzoic acid
CID 67450326
(4-methoxyphenyl)-[1-(2-phenylphenyl)imidazol-4-yl]methanone
CID 69122430

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid (CID 82480116) is 1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid is COc1ccc(-n2cnc(C(=O)O)c2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid?
The InChIKey is NGPDKNWOMJNLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-17-8-3-4-10(11(5-8)18-2)14-6-9(12(15)16)13-7-14/h3-7H,1-2H3,(H,15,16).
What are the key properties of 1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid?
1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.59, 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)imidazole-4-carboxylic acid is sourced from PubChem (CID 82480116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).