1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one

C14H16N2O2 — CID 117362675

IUPAC1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one
SMILESCC(=O)c1cccc(-n2ccn(C(C)C)c2=O)c1
InChIInChI=1S/C14H16N2O2/c1-10(2)15-7-8-16(14(15)18)13-6-4-5-12(9-13)11(3)17/h4-10H,1-3H3
InChIKeyACUKJEWBTVVFOU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.42
Rot. Bonds3

About 1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one

1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one (PubChem CID 117362675) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one
PubChem CID117362675
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one
SMILESCC(=O)c1cccc(-n2ccn(C(C)C)c2=O)c1
InChIInChI=1S/C14H16N2O2/c1-10(2)15-7-8-16(14(15)18)13-6-4-5-12(9-13)11(3)17/h4-10H,1-3H3
InChIKeyACUKJEWBTVVFOU-UHFFFAOYSA-N
XLogP2.42
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one
CID 117431456
6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione
CID 766014
1-(3-acetylphenyl)pyrrolidine-2,5-dione;ethane
CID 145439444
1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone
CID 79671280
6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 17255818
1-methyl-3-[3-[2-(methylamino)acetyl]phenyl]imidazol-2-one
CID 117365074
3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzoic acid
CID 80579774
1-[3-(5-propan-2-ylpyrazol-1-yl)phenyl]ethanone
CID 84792242
3-[4-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117498694
1-[3-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanone
CID 76702888
17-(3-acetylphenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2871716
1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one
CID 117396906

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one (CID 117362675) is 1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one is CC(=O)c1cccc(-n2ccn(C(C)C)c2=O)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is ACUKJEWBTVVFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(2)15-7-8-16(14(15)18)13-6-4-5-12(9-13)11(3)17/h4-10H,1-3H3.
What are the key properties of 1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one?
1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 244.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 117362675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).