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

C15H19F3N2O — CID 83237992

IUPAC3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCC(C)CCN1C(=O)CNC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O/c1-10(2)6-7-20-13(21)9-19-14(20)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,10,14,19H,6-7,9H2,1-2H3
InChIKeyDVJHYEZDOYTDMV-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.18
Rot. Bonds4

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

3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 83237992) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID83237992
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCC(C)CCN1C(=O)CNC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O/c1-10(2)6-7-20-13(21)9-19-14(20)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,10,14,19H,6-7,9H2,1-2H3
InChIKeyDVJHYEZDOYTDMV-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83247057
3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 130405713
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
2-(3-fluorophenyl)-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83256699
2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260212
2-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 62763612
2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248898
5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83267734
3-(2-cyclohexylethyl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83246283

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 83237992) is 3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is CC(C)CCN1C(=O)CNC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is DVJHYEZDOYTDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10(2)6-7-20-13(21)9-19-14(20)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,10,14,19H,6-7,9H2,1-2H3.
What are the key properties of 3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 300.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 83237992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).