2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

C15H19F3N2O — CID 83248818

IUPAC2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCCc1ccc(C2NC(C)C(=O)N2CCC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-3-11-4-6-12(7-5-11)13-19-10(2)14(21)20(13)9-8-15(16,17)18/h4-7,10,13,19H,3,8-9H2,1-2H3
InChIKeyCKKCEAFHJXBONO-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.02
Rot. Bonds4

About 2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (PubChem CID 83248818) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
PubChem CID83248818
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCCc1ccc(C2NC(C)C(=O)N2CCC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-3-11-4-6-12(7-5-11)13-19-10(2)14(21)20(13)9-8-15(16,17)18/h4-7,10,13,19H,3,8-9H2,1-2H3
InChIKeyCKKCEAFHJXBONO-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one
CID 83237437
2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83246539
2-(4-fluorophenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282121
5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255175
2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83267017
3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one
CID 83238348
5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
CID 83259776
5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264525
3-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83250403
5-methyl-2-(4-propan-2-ylphenyl)-3-propylimidazolidin-4-one
CID 115282125
3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one
CID 83239344
3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83255113

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The IUPAC name of 2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (CID 83248818) is 2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is CCc1ccc(C2NC(C)C(=O)N2CCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The InChIKey is CKKCEAFHJXBONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-3-11-4-6-12(7-5-11)13-19-10(2)14(21)20(13)9-8-15(16,17)18/h4-7,10,13,19H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one has a molecular weight of 300.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is sourced from PubChem (CID 83248818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).