5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one

C13H15F3N2O — CID 83259707

IUPAC5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCCC1NC(c2ccccc2C(F)(F)F)N(C)C1=O
InChIInChI=1S/C13H15F3N2O/c1-3-10-12(19)18(2)11(17-10)8-6-4-5-7-9(8)13(14,15)16/h4-7,10-11,17H,3H2,1-2H3
InChIKeyMLQFDWGGVGBQHR-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.54
Rot. Bonds2

About 5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one

5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 83259707) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID83259707
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCCC1NC(c2ccccc2C(F)(F)F)N(C)C1=O
InChIInChI=1S/C13H15F3N2O/c1-3-10-12(19)18(2)11(17-10)8-6-4-5-7-9(8)13(14,15)16/h4-7,10-11,17H,3H2,1-2H3
InChIKeyMLQFDWGGVGBQHR-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 83259707) is 5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one is CCC1NC(c2ccccc2C(F)(F)F)N(C)C1=O.
What is the InChIKey of 5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is MLQFDWGGVGBQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-3-10-12(19)18(2)11(17-10)8-6-4-5-7-9(8)13(14,15)16/h4-7,10-11,17H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one?
5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 272.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 83259707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).