3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one

C13H14N2O4 — CID 22456831

IUPAC3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one
SMILESCOc1ccc(C(=O)Cn2cc[nH]c2=O)cc1OC
InChIInChI=1S/C13H14N2O4/c1-18-11-4-3-9(7-12(11)19-2)10(16)8-15-6-5-14-13(15)17/h3-7H,8H2,1-2H3,(H,14,17)
InChIKeyZVDIWCAWAXTWHV-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.08
Rot. Bonds5

About 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one

3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one (PubChem CID 22456831) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one
PubChem CID22456831
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one
SMILESCOc1ccc(C(=O)Cn2cc[nH]c2=O)cc1OC
InChIInChI=1S/C13H14N2O4/c1-18-11-4-3-9(7-12(11)19-2)10(16)8-15-6-5-14-13(15)17/h3-7H,8H2,1-2H3,(H,14,17)
InChIKeyZVDIWCAWAXTWHV-UHFFFAOYSA-N
XLogP1.08
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62023747
1-(3,4-dimethoxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone;hydrobromide
CID 126958504
3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one
CID 19603657
2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 110368777
[2-(3,4-dimethoxyphenyl)-2-oxoethyl]azanium chloride
CID 16740542
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate
CID 90480570
1-(3,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanone
CID 65134393
3-[1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 13034669
(5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52529593
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 18099222
ethyl 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368813

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one (CID 22456831) is 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one is COc1ccc(C(=O)Cn2cc[nH]c2=O)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one?
The InChIKey is ZVDIWCAWAXTWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-18-11-4-3-9(7-12(11)19-2)10(16)8-15-6-5-14-13(15)17/h3-7H,8H2,1-2H3,(H,14,17).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one?
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one has a molecular weight of 262.27 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one is sourced from PubChem (CID 22456831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).