2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

C15H19F3N2O — CID 83248898

IUPAC2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCC(C)c1ccc(C2NCC(=O)N2CCC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-10(2)11-3-5-12(6-4-11)14-19-9-13(21)20(14)8-7-15(16,17)18/h3-6,10,14,19H,7-9H2,1-2H3
InChIKeyDFRNAILQTRUDEO-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.19
Rot. Bonds4

About 2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (PubChem CID 83248898) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
PubChem CID83248898
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCC(C)c1ccc(C2NCC(=O)N2CCC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-10(2)11-3-5-12(6-4-11)14-19-9-13(21)20(14)8-7-15(16,17)18/h3-6,10,14,19H,7-9H2,1-2H3
InChIKeyDFRNAILQTRUDEO-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255096
3-[2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 83251685
3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 83262703
3-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 115282239
2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259867
3-(2-methoxy-2-methylpropyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 114983375
2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83254696
3-(cyclobutylmethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 83243420
3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83238040
3-[2-(dimethylamino)ethyl]-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83248240
3-(2-methylsulfanylethyl)-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83257123
3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 115282048

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The IUPAC name of 2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (CID 83248898) is 2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is CC(C)c1ccc(C2NCC(=O)N2CCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The InChIKey is DFRNAILQTRUDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10(2)11-3-5-12(6-4-11)14-19-9-13(21)20(14)8-7-15(16,17)18/h3-6,10,14,19H,7-9H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one has a molecular weight of 300.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is sourced from PubChem (CID 83248898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).