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

C14H20N2O3 — CID 117026469

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one
SMILESCOc1ccc(CCN2CCN(C)C2=O)cc1OC
InChIInChI=1S/C14H20N2O3/c1-15-8-9-16(14(15)17)7-6-11-4-5-12(18-2)13(10-11)19-3/h4-5,10H,6-9H2,1-3H3
InChIKeyRBMDNRLTZSBHQC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.61
Rot. Bonds5

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

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one (PubChem CID 117026469) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one
PubChem CID117026469
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one
SMILESCOc1ccc(CCN2CCN(C)C2=O)cc1OC
InChIInChI=1S/C14H20N2O3/c1-15-8-9-16(14(15)17)7-6-11-4-5-12(18-2)13(10-11)19-3/h4-5,10H,6-9H2,1-3H3
InChIKeyRBMDNRLTZSBHQC-UHFFFAOYSA-N
XLogP1.61
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one
CID 59011747
2-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 10859894
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-one
CID 117012812
2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731133
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
CID 10870149
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 19603658
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915
4-(aminomethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 52988220
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3494634
(1R,2R,6R,7R)-4-[2-(3,4-dimethoxyphenyl)ethyl]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98170976
(1R,2S,6R,7S)-4-[2-(3,4-dimethoxyphenyl)ethyl]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 7238061

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one (CID 117026469) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one is COc1ccc(CCN2CCN(C)C2=O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one?
The InChIKey is RBMDNRLTZSBHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-8-9-16(14(15)17)7-6-11-4-5-12(18-2)13(10-11)19-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 117026469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).