5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one

C15H19F3N2O — CID 83267734

IUPAC5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCCC(C)C1NC(c2cccc(C(F)(F)F)c2)N(C)C1=O
InChIInChI=1S/C15H19F3N2O/c1-4-9(2)12-14(21)20(3)13(19-12)10-6-5-7-11(8-10)15(16,17)18/h5-9,12-13,19H,4H2,1-3H3
InChIKeyYKWOFPDTUPJLBD-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.18
Rot. Bonds3

About 5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one

5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 83267734) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID83267734
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCCC(C)C1NC(c2cccc(C(F)(F)F)c2)N(C)C1=O
InChIInChI=1S/C15H19F3N2O/c1-4-9(2)12-14(21)20(3)13(19-12)10-6-5-7-11(8-10)15(16,17)18/h5-9,12-13,19H,4H2,1-3H3
InChIKeyYKWOFPDTUPJLBD-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

5-butan-2-yl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one
CID 83262375
5-butan-2-yl-2-(3-fluorophenyl)-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83263347
3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83268675
5-butan-2-yl-3-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83260139
3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83237992
3-methyl-2-(3-nitrophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83260322
2-(3,4-difluorophenyl)-3-methyl-5-propan-2-ylimidazolidin-4-one
CID 83260491
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 130405713
4-imino-1-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 138388996
3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83247057
2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one
CID 83242425

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 83267734) is 5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is CCC(C)C1NC(c2cccc(C(F)(F)F)c2)N(C)C1=O.
What is the InChIKey of 5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is YKWOFPDTUPJLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-4-9(2)12-14(21)20(3)13(19-12)10-6-5-7-11(8-10)15(16,17)18/h5-9,12-13,19H,4H2,1-3H3.
What are the key properties of 5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 300.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 83267734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).