5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C15H19F3N2O — CID 83244729

IUPAC5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC(C)CC1NC(c2ccccc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C15H19F3N2O/c1-10(2)8-12-14(21)20(9-15(16,17)18)13(19-12)11-6-4-3-5-7-11/h3-7,10,12-13,19H,8-9H2,1-2H3
InChIKeyXSMDERBIRUFYSB-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.09
Rot. Bonds4

About 5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 83244729) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID83244729
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC(C)CC1NC(c2ccccc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C15H19F3N2O/c1-10(2)8-12-14(21)20(9-15(16,17)18)13(19-12)11-6-4-3-5-7-11/h3-7,10,12-13,19H,8-9H2,1-2H3
InChIKeyXSMDERBIRUFYSB-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 83244729) is 5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CC(C)CC1NC(c2ccccc2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is XSMDERBIRUFYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10(2)8-12-14(21)20(9-15(16,17)18)13(19-12)11-6-4-3-5-7-11/h3-7,10,12-13,19H,8-9H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 300.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 83244729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).