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

C11H11F3N2O — CID 115282010

IUPAC3-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCN1C(=O)CNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O/c1-16-9(17)6-15-10(16)7-2-4-8(5-3-7)11(12,13)14/h2-5,10,15H,6H2,1H3
InChIKeyXBVITOGPYYEQOK-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.77
Rot. Bonds1

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

3-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 115282010) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 3-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID115282010
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name3-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCN1C(=O)CNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O/c1-16-9(17)6-15-10(16)7-2-4-8(5-3-7)11(12,13)14/h2-5,10,15H,6H2,1H3
InChIKeyXBVITOGPYYEQOK-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 115282048
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-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83246176
2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259867
2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255096
3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one
CID 83256551
3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83237992
3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83247057
3-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-fluorophenyl)imidazolidin-4-one
CID 83254925
3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 130405713

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 3-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 115282010) is 3-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 3-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 3-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one is CN1C(=O)CNC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is XBVITOGPYYEQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-16-9(17)6-15-10(16)7-2-4-8(5-3-7)11(12,13)14/h2-5,10,15H,6H2,1H3.
What are the key properties of 3-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
3-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 244.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 115282010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).