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

C16H20N2O3 — CID 80580041

IUPAC1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cc(C(C)=O)ccc2OC)c1=O
InChIInChI=1S/C16H20N2O3/c1-4-7-17-8-9-18(16(17)20)11-14-10-13(12(2)19)5-6-15(14)21-3/h5-6,8-10H,4,7,11H2,1-3H3
InChIKeyBMDJGVCBFZEQBJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.32
Rot. Bonds6

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

1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one (PubChem CID 80580041) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one
PubChem CID80580041
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cc(C(C)=O)ccc2OC)c1=O
InChIInChI=1S/C16H20N2O3/c1-4-7-17-8-9-18(16(17)20)11-14-10-13(12(2)19)5-6-15(14)21-3/h5-6,8-10H,4,7,11H2,1-3H3
InChIKeyBMDJGVCBFZEQBJ-UHFFFAOYSA-N
XLogP2.32
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-acetyl-2-methoxyphenyl)methyl]-3-cyclopropylimidazol-2-one
CID 80579970
1-[(5-acetyl-2-methoxyphenyl)methyl]-3-bromopyridin-2-one
CID 114760634
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153
1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 62019174
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
CID 80583236
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
1-[3-(butoxymethyl)-4-methoxyphenyl]ethanone
CID 43789546
1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]ethanone
CID 43233068
5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 2445448

Frequently Asked Questions

What is the IUPAC name of 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one (CID 80580041) is 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2cc(C(C)=O)ccc2OC)c1=O.
What is the InChIKey of 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one?
The InChIKey is BMDJGVCBFZEQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-7-17-8-9-18(16(17)20)11-14-10-13(12(2)19)5-6-15(14)21-3/h5-6,8-10H,4,7,11H2,1-3H3.
What are the key properties of 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one?
1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one has a molecular weight of 288.35 g/mol, XLogP of 2.32, 6 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-propylimidazol-2-one is sourced from PubChem (CID 80580041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).