2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone

C14H16N2O3 — CID 114272615

IUPAC2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone
SMILESCOc1ccc(CC(=O)c2cn(C)cn2)cc1OC
InChIInChI=1S/C14H16N2O3/c1-16-8-11(15-9-16)12(17)6-10-4-5-13(18-2)14(7-10)19-3/h4-5,7-9H,6H2,1-3H3
InChIKeyBAMQVZCEKWLZSY-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.86
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone

2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone (PubChem CID 114272615) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone
PubChem CID114272615
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone
SMILESCOc1ccc(CC(=O)c2cn(C)cn2)cc1OC
InChIInChI=1S/C14H16N2O3/c1-16-8-11(15-9-16)12(17)6-10-4-5-13(18-2)14(7-10)19-3/h4-5,7-9H,6H2,1-3H3
InChIKeyBAMQVZCEKWLZSY-UHFFFAOYSA-N
XLogP1.86
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone 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-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 63960954
2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685647
2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
CID 43339993
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
1-(3,4-dimethoxyphenyl)-4-hydroxybutane-2,3-dione
CID 69126114
methyl 3-(3,4-dimethoxyphenyl)-2-oxopropanoate
CID 15852024
1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 43344752
2-(3,4-dimethoxyphenyl)-1-(4-ethoxy-5-methoxy-2-methylphenyl)ethanone
CID 165344990
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
2-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105083662
2-(3-bromo-4-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone
CID 102950057

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone (CID 114272615) is 2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone is COc1ccc(CC(=O)c2cn(C)cn2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone?
The InChIKey is BAMQVZCEKWLZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-8-11(15-9-16)12(17)6-10-4-5-13(18-2)14(7-10)19-3/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone?
2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone has a molecular weight of 260.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)ethanone is sourced from PubChem (CID 114272615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).