3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one

C17H25FN2O — CID 83237076

IUPAC3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one
SMILESCCCCC1NC(c2ccc(F)cc2)N(C(C)CC)C1=O
InChIInChI=1S/C17H25FN2O/c1-4-6-7-15-17(21)20(12(3)5-2)16(19-15)13-8-10-14(18)11-9-13/h8-12,15-16,19H,4-7H2,1-3H3
InChIKeyKPPDDVYYWWWYRF-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.61
Rot. Bonds6

About 3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one

3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one (PubChem CID 83237076) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one
PubChem CID83237076
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one
SMILESCCCCC1NC(c2ccc(F)cc2)N(C(C)CC)C1=O
InChIInChI=1S/C17H25FN2O/c1-4-6-7-15-17(21)20(12(3)5-2)16(19-15)13-8-10-14(18)11-9-13/h8-12,15-16,19H,4-7H2,1-3H3
InChIKeyKPPDDVYYWWWYRF-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-3-(1-methoxypropan-2-yl)-2-phenylimidazolidin-4-one
CID 83237900
3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83238950
5-ethyl-2-(4-fluorophenyl)-3-hexan-3-ylimidazolidin-4-one
CID 83253045
5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one
CID 83252512
3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one
CID 83239646
5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83243016
3-ethyl-2-(4-fluorophenyl)-5-propylimidazolidin-4-one
CID 83239444
5-butyl-3-(2,2-difluoroethyl)-2-phenylimidazolidin-4-one
CID 83270970
3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83240108
5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83251878
3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one
CID 83239344
3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one
CID 83239935

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one?
The IUPAC name of 3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one (CID 83237076) is 3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one?
The canonical SMILES for 3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one is CCCCC1NC(c2ccc(F)cc2)N(C(C)CC)C1=O.
What is the InChIKey of 3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one?
The InChIKey is KPPDDVYYWWWYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-4-6-7-15-17(21)20(12(3)5-2)16(19-15)13-8-10-14(18)11-9-13/h8-12,15-16,19H,4-7H2,1-3H3.
What are the key properties of 3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one?
3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one has a molecular weight of 292.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one is sourced from PubChem (CID 83237076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).