1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one

C16H19FN2O2 — CID 80580134

IUPAC1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCCC(=O)c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H19FN2O2/c1-12(2)19-11-10-18(16(19)21)9-3-4-15(20)13-5-7-14(17)8-6-13/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyZDQNAOBLQKCOOJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.03
Rot. Bonds6

About 1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one

1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one (PubChem CID 80580134) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one
PubChem CID80580134
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCCC(=O)c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H19FN2O2/c1-12(2)19-11-10-18(16(19)21)9-3-4-15(20)13-5-7-14(17)8-6-13/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyZDQNAOBLQKCOOJ-UHFFFAOYSA-N
XLogP3.03
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluoroanilino)ethyl]-3-propan-2-ylimidazol-2-one
CID 80582579
4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide
CID 80582933
1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one
CID 80580219
1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one
CID 107522959
1-[2-(4-iodophenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581510
1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 43793253
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 104967925
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
N-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
CID 116624987
1-[4-(ethylamino)butyl]-3-propan-2-ylimidazol-2-one
CID 80582411
1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one
CID 106800526
1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperazine-2,5-dione
CID 79937414

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one (CID 80580134) is 1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CCCC(=O)c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is ZDQNAOBLQKCOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-12(2)19-11-10-18(16(19)21)9-3-4-15(20)13-5-7-14(17)8-6-13/h5-8,10-12H,3-4,9H2,1-2H3.
What are the key properties of 1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one?
1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 290.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-4-oxobutyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80580134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).