2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid

C13H14N2O4 — CID 82485425

IUPAC2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid
SMILESCOc1ccc(-n2cnc(CC(=O)O)c2)cc1OC
InChIInChI=1S/C13H14N2O4/c1-18-11-4-3-10(6-12(11)19-2)15-7-9(14-8-15)5-13(16)17/h3-4,6-8H,5H2,1-2H3,(H,16,17)
InChIKeyBRAZKAODEISVCN-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.52
Rot. Bonds5

About 2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid

2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid (PubChem CID 82485425) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid
PubChem CID82485425
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid
SMILESCOc1ccc(-n2cnc(CC(=O)O)c2)cc1OC
InChIInChI=1S/C13H14N2O4/c1-18-11-4-3-10(6-12(11)19-2)15-7-9(14-8-15)5-13(16)17/h3-4,6-8H,5H2,1-2H3,(H,16,17)
InChIKeyBRAZKAODEISVCN-UHFFFAOYSA-N
XLogP1.52
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3,4-dimethylphenyl)imidazol-4-yl]acetic acid
CID 82474315
2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid
CID 82476530
1-(3,4-dimethoxyphenyl)-4-nitroimidazole
CID 53231877
3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid
CID 82479273
1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone
CID 161085278
1-[1-(4-fluorophenyl)imidazol-4-yl]propan-2-one
CID 83887995
2-[1-(2-fluorophenyl)imidazol-4-yl]acetic acid
CID 82472522
1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid
CID 50928021
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421
2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid
CID 1209089
2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid
CID 116820301
1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869703

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid (CID 82485425) is 2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid is COc1ccc(-n2cnc(CC(=O)O)c2)cc1OC.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid?
The InChIKey is BRAZKAODEISVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-18-11-4-3-10(6-12(11)19-2)15-7-9(14-8-15)5-13(16)17/h3-4,6-8H,5H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid?
2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid is sourced from PubChem (CID 82485425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).