4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid

C12H12N2O4 — CID 82296194

IUPAC4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc[nH]c2C(=O)O)cc1OC
InChIInChI=1S/C12H12N2O4/c1-17-8-4-3-7(5-9(8)18-2)10-11(12(15)16)14-6-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyMWDWNTDGLMJYLQ-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.79
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid

4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid (PubChem CID 82296194) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
PubChem CID82296194
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc[nH]c2C(=O)O)cc1OC
InChIInChI=1S/C12H12N2O4/c1-17-8-4-3-7(5-9(8)18-2)10-11(12(15)16)14-6-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyMWDWNTDGLMJYLQ-UHFFFAOYSA-N
XLogP1.79
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 22905823
4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82302560
4-(3,4-dimethoxybenzoyl)-1H-imidazole-5-carboxylic acid
CID 116520138
4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133695
4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82306772
4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223762
4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 142592641
2-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62250258
5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole
CID 68946720
4-(4-methoxy-3-methylbenzoyl)-1H-imidazole-5-carboxylic acid
CID 116520175
6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid
CID 125488706
2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302588

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid (CID 82296194) is 4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid is COc1ccc(-c2nc[nH]c2C(=O)O)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is MWDWNTDGLMJYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-17-8-4-3-7(5-9(8)18-2)10-11(12(15)16)14-6-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid?
4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 82296194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).