2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one

C13H13F3N2O2 — CID 136827220

IUPAC2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(c2ccc(O)c(C(F)(F)F)c2)NC1=O
InChIInChI=1S/C13H13F3N2O2/c1-6(2)10-12(20)18-11(17-10)7-3-4-9(19)8(5-7)13(14,15)16/h3-6,10,19H,1-2H3,(H,17,18,20)
InChIKeyIXLVUMAFHUNRJI-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.31
Rot. Bonds2

About 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one

2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one (PubChem CID 136827220) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one
PubChem CID136827220
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(c2ccc(O)c(C(F)(F)F)c2)NC1=O
InChIInChI=1S/C13H13F3N2O2/c1-6(2)10-12(20)18-11(17-10)7-3-4-9(19)8(5-7)13(14,15)16/h3-6,10,19H,1-2H3,(H,17,18,20)
InChIKeyIXLVUMAFHUNRJI-UHFFFAOYSA-N
XLogP2.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one (CID 136827220) is 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one is CC(C)C1N=C(c2ccc(O)c(C(F)(F)F)c2)NC1=O.
What is the InChIKey of 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The InChIKey is IXLVUMAFHUNRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-6(2)10-12(20)18-11(17-10)7-3-4-9(19)8(5-7)13(14,15)16/h3-6,10,19H,1-2H3,(H,17,18,20).
What are the key properties of 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one?
2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one has a molecular weight of 286.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 136827220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).