2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C14H16ClF3N2O — CID 83244948

IUPAC2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCCCC1NC(c2ccc(Cl)cc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C14H16ClF3N2O/c1-2-3-11-13(21)20(8-14(16,17)18)12(19-11)9-4-6-10(15)7-5-9/h4-7,11-12,19H,2-3,8H2,1H3
InChIKeyAXESPNCGINCAED-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.50
Rot. Bonds4

About 2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 83244948) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID83244948
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC Name2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCCCC1NC(c2ccc(Cl)cc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C14H16ClF3N2O/c1-2-3-11-13(21)20(8-14(16,17)18)12(19-11)9-4-6-10(15)7-5-9/h4-7,11-12,19H,2-3,8H2,1H3
InChIKeyAXESPNCGINCAED-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2-(4-fluorophenyl)-5-propylimidazolidin-4-one
CID 83239444
5-(2-methylpropyl)-2-phenyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244729
2-(3-chlorophenyl)-3-ethyl-5-propylimidazolidin-4-one
CID 83240043
2-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83257869
3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propylimidazolidin-4-one
CID 83233071
5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 106291556
5-butyl-2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244694
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83251669
3-(2,2-dimethylpropyl)-2-(2-fluorophenyl)-5-propylimidazolidin-4-one
CID 83247055
2-cyclopentyl-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83251613
5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one
CID 83246817
3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
CID 83239066

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 83244948) is 2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CCCC1NC(c2ccc(Cl)cc2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is AXESPNCGINCAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c1-2-3-11-13(21)20(8-14(16,17)18)12(19-11)9-4-6-10(15)7-5-9/h4-7,11-12,19H,2-3,8H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 320.74 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 83244948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).