3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one

C15H19F3N2O — CID 83237657

IUPAC3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCCCC(C)N1C(=O)CNC1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-3-6-10(2)20-13(21)9-19-14(20)11-7-4-5-8-12(11)15(16,17)18/h4-5,7-8,10,14,19H,3,6,9H2,1-2H3
InChIKeyACQKHIIVTRHMFC-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.32
Rot. Bonds4

About 3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one

3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 83237657) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID83237657
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCCCC(C)N1C(=O)CNC1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-3-6-10(2)20-13(21)9-19-14(20)11-7-4-5-8-12(11)15(16,17)18/h4-5,7-8,10,14,19H,3,6,9H2,1-2H3
InChIKeyACQKHIIVTRHMFC-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one
CID 83244014
2-(2-fluorophenyl)-3-(1-methoxybutan-2-yl)imidazolidin-4-one
CID 83259041
3-methyl-5-propyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83260220
3-octan-4-yl-2-phenylimidazolidin-4-one
CID 106021439
(3S,6R)-6-methyl-3-[2-(trifluoromethyl)phenyl]piperazin-2-one
CID 125456068
5-ethyl-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83259707
3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239756
3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83246176
2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one
CID 83237041
2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one
CID 83252372
3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83252329
1-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole
CID 65046310

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 83237657) is 3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one is CCCC(C)N1C(=O)CNC1c1ccccc1C(F)(F)F.
What is the InChIKey of 3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is ACQKHIIVTRHMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-3-6-10(2)20-13(21)9-19-14(20)11-7-4-5-8-12(11)15(16,17)18/h4-5,7-8,10,14,19H,3,6,9H2,1-2H3.
What are the key properties of 3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one?
3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 300.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 83237657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).