3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one

C16H17F3N2O2 — CID 2962176

IUPAC3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one
SMILESO=C1N(C2CCCCC2)C(c2ccccc2)=NC1(O)C(F)(F)F
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)15(23)14(22)21(12-9-5-2-6-10-12)13(20-15)11-7-3-1-4-8-11/h1,3-4,7-8,12,23H,2,5-6,9-10H2
InChIKeyXPJYLUNTZKILMD-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.86
Rot. Bonds2

About 3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one

3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one (PubChem CID 2962176) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one.

Molecular Properties

Compound Name3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one
PubChem CID2962176
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one
SMILESO=C1N(C2CCCCC2)C(c2ccccc2)=NC1(O)C(F)(F)F
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)15(23)14(22)21(12-9-5-2-6-10-12)13(20-15)11-7-3-1-4-8-11/h1,3-4,7-8,12,23H,2,5-6,9-10H2
InChIKeyXPJYLUNTZKILMD-UHFFFAOYSA-N
XLogP2.86
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The IUPAC name of 3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one (CID 2962176) is 3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one.
What is the SMILES notation for 3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The canonical SMILES for 3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one is O=C1N(C2CCCCC2)C(c2ccccc2)=NC1(O)C(F)(F)F.
What is the InChIKey of 3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
The InChIKey is XPJYLUNTZKILMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)15(23)14(22)21(12-9-5-2-6-10-12)13(20-15)11-7-3-1-4-8-11/h1,3-4,7-8,12,23H,2,5-6,9-10H2.
What are the key properties of 3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one?
3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one has a molecular weight of 326.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one is sourced from PubChem (CID 2962176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).