5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C15H15F3N2O2 — CID 59370446

IUPAC5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(C2CCC2)C(=O)N1CC(F)(F)F
InChIInChI=1S/C15H15F3N2O2/c16-14(17,18)9-20-12(21)15(19-13(20)22,11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,22)
InChIKeyRGOLJBSIMKUORZ-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.80
Rot. Bonds3

About 5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 59370446) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID59370446
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(C2CCC2)C(=O)N1CC(F)(F)F
InChIInChI=1S/C15H15F3N2O2/c16-14(17,18)9-20-12(21)15(19-13(20)22,11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,22)
InChIKeyRGOLJBSIMKUORZ-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
(3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 99616144
(5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 95200931
3-cyclohexyl-3-phenyl-2H-isoindol-1-one
CID 134952980
5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 56662757
3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 118759898
1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 113225089
5-cyclobutyl-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 90358668
(5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 124734823
4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 134494482
N,N-dicyclohexyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42982708
3-(oxan-2-ylmethyl)-5,5-diphenylimidazolidine-2,4-dione
CID 43000639

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 59370446) is 5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is O=C1NC(c2ccccc2)(C2CCC2)C(=O)N1CC(F)(F)F.
What is the InChIKey of 5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is RGOLJBSIMKUORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c16-14(17,18)9-20-12(21)15(19-13(20)22,11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,22).
What are the key properties of 5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 312.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59370446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).