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

C13H13F3N2O2 — CID 2996846

IUPAC5-hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one
SMILESCCCN1C(=O)C(O)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C13H13F3N2O2/c1-2-8-18-10(9-6-4-3-5-7-9)17-12(20,11(18)19)13(14,15)16/h3-7,20H,2,8H2,1H3
InChIKeyRDWLDVFNEGXYGE-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.94
Rot. Bonds3

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

5-hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one (PubChem CID 2996846) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 5-hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one.

Molecular Properties

Compound Name5-hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one
PubChem CID2996846
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name5-hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one
SMILESCCCN1C(=O)C(O)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C13H13F3N2O2/c1-2-8-18-10(9-6-4-3-5-7-9)17-12(20,11(18)19)13(14,15)16/h3-7,20H,2,8H2,1H3
InChIKeyRDWLDVFNEGXYGE-UHFFFAOYSA-N
XLogP1.94
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one?
The IUPAC name of 5-hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one (CID 2996846) is 5-hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one.
What is the SMILES notation for 5-hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one?
The canonical SMILES for 5-hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one is CCCN1C(=O)C(O)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of 5-hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one?
The InChIKey is RDWLDVFNEGXYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-2-8-18-10(9-6-4-3-5-7-9)17-12(20,11(18)19)13(14,15)16/h3-7,20H,2,8H2,1H3.
What are the key properties of 5-hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one?
5-hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one has a molecular weight of 286.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one is sourced from PubChem (CID 2996846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).