1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one

C16H18N2O3 — CID 80579970

IUPAC1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one
SMILESCOc1ccc(C(C)=O)cc1Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C16H18N2O3/c1-11(19)12-3-6-15(21-2)13(9-12)10-17-7-8-18(16(17)20)14-4-5-14/h3,6-9,14H,4-5,10H2,1-2H3
InChIKeyUDRLCAILGQKJEW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.24
Rot. Bonds5

About 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one

1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one (PubChem CID 80579970) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one
PubChem CID80579970
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one
SMILESCOc1ccc(C(C)=O)cc1Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C16H18N2O3/c1-11(19)12-3-6-15(21-2)13(9-12)10-17-7-8-18(16(17)20)14-4-5-14/h3,6-9,14H,4-5,10H2,1-2H3
InChIKeyUDRLCAILGQKJEW-UHFFFAOYSA-N
XLogP2.24
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80580041
1-[(5-acetyl-2-methoxyphenyl)methyl]-3-bromopyridin-2-one
CID 114760634
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-4-carbaldehyde
CID 62656647
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153
1-[4-methoxy-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 63248941
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 64596974
2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone
CID 71936525
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 62019174
1-[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 83136835
3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
CID 51106612

Frequently Asked Questions

What is the IUPAC name of 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one (CID 80579970) is 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one is COc1ccc(C(C)=O)cc1Cn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one?
The InChIKey is UDRLCAILGQKJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(19)12-3-6-15(21-2)13(9-12)10-17-7-8-18(16(17)20)14-4-5-14/h3,6-9,14H,4-5,10H2,1-2H3.
What are the key properties of 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one?
1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one has a molecular weight of 286.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 80579970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).