2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid

C13H14N2O3 — CID 82295182

IUPAC2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid
SMILESCOc1ccccc1-n1cc(CC(=O)O)nc1C
InChIInChI=1S/C13H14N2O3/c1-9-14-10(7-13(16)17)8-15(9)11-5-3-4-6-12(11)18-2/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyGOBHAOBUWFASKJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.82
Rot. Bonds4

About 2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid

2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid (PubChem CID 82295182) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid
PubChem CID82295182
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid
SMILESCOc1ccccc1-n1cc(CC(=O)O)nc1C
InChIInChI=1S/C13H14N2O3/c1-9-14-10(7-13(16)17)8-15(9)11-5-3-4-6-12(11)18-2/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyGOBHAOBUWFASKJ-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-methoxyphenyl)-2-methylimidazol-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-(1,2-dimethylimidazol-4-yl)acetic acid
CID 82279387
2-[1-(1,3-benzodioxol-5-yl)-2-methylimidazol-4-yl]acetic acid
CID 82301415
2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62404880
1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 71563706
3-(2-methyl-1-phenylimidazol-4-yl)propanoic acid
CID 82288832
3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid
CID 82301682
1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid
CID 82302613
2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39362994
2-(4H-imidazo[2,1-c][1,4]benzothiazin-2-yl)acetic acid
CID 10586507
1-(2-methoxyphenyl)-5-methylpyridin-2-one
CID 11957010
[1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine
CID 82286824
ethyl 2-[2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]acetate
CID 11537595

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid (CID 82295182) is 2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid is COc1ccccc1-n1cc(CC(=O)O)nc1C.
What is the InChIKey of 2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid?
The InChIKey is GOBHAOBUWFASKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-14-10(7-13(16)17)8-15(9)11-5-3-4-6-12(11)18-2/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid?
2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid is sourced from PubChem (CID 82295182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).