1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one

C14H18N2O3 — CID 19603658

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one
SMILESCOc1ccc(CCn2ccn(C)c2=O)cc1OC
InChIInChI=1S/C14H18N2O3/c1-15-8-9-16(14(15)17)7-6-11-4-5-12(18-2)13(10-11)19-3/h4-5,8-10H,6-7H2,1-3H3
InChIKeyICXUCIDEDCJAHR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.45
Rot. Bonds5

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one (PubChem CID 19603658) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one
PubChem CID19603658
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one
SMILESCOc1ccc(CCn2ccn(C)c2=O)cc1OC
InChIInChI=1S/C14H18N2O3/c1-15-8-9-16(14(15)17)7-6-11-4-5-12(18-2)13(10-11)19-3/h4-5,8-10H,6-7H2,1-3H3
InChIKeyICXUCIDEDCJAHR-UHFFFAOYSA-N
XLogP1.45
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one 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

2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731133
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
CID 80583236
[2-methoxy-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]boronic acid
CID 80582060
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
CID 10870149
1-[[3-(3-aminoprop-1-ynyl)-4-methoxyphenyl]methyl]-3-methylimidazol-2-one
CID 80582104
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-one
CID 117012812
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 117026469
1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,5,6,7,8-hexahydroquinolin-2-one
CID 5084350
1-[2-(3,4-dimethoxyphenyl)ethyl]imidazole-2-carbonitrile
CID 167905632
(2S,6S,8R,12R)-4,10-bis[2-(3,4-dimethoxyphenyl)ethyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 92531936
methyl 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate
CID 54707837
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-bis(trimethylsilyloxy)pyrrolidine-2,5-dione
CID 11236001

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one (CID 19603658) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one is COc1ccc(CCn2ccn(C)c2=O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one?
The InChIKey is ICXUCIDEDCJAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15-8-9-16(14(15)17)7-6-11-4-5-12(18-2)13(10-11)19-3/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one is sourced from PubChem (CID 19603658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).