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

C10H9F3N2O2 — CID 130405713

IUPAC3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESO=C1CNC(c2cccc(C(F)(F)F)c2)N1O
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)7-3-1-2-6(4-7)9-14-5-8(16)15(9)17/h1-4,9,14,17H,5H2
InChIKeyTYGYCHDGNDCSTF-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.52
Rot. Bonds1

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

3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 130405713) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID130405713
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESO=C1CNC(c2cccc(C(F)(F)F)c2)N1O
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)7-3-1-2-6(4-7)9-14-5-8(16)15(9)17/h1-4,9,14,17H,5H2
InChIKeyTYGYCHDGNDCSTF-UHFFFAOYSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83247057
3-(3-methylbutyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83237992
1-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidine
CID 151676158
(2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one
CID 92534451
1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 130405851
(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 97000628
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
(4S)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 171185732
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83268675
5-butan-2-yl-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83267734

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 130405713) is 3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is O=C1CNC(c2cccc(C(F)(F)F)c2)N1O.
What is the InChIKey of 3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is TYGYCHDGNDCSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)7-3-1-2-6(4-7)9-14-5-8(16)15(9)17/h1-4,9,14,17H,5H2.
What are the key properties of 3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 246.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 130405713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).