4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

C13H14F3N3O2 — CID 118019251

IUPAC4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESC=CCN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1C
InChIInChI=1S/C13H14F3N3O2/c1-3-6-18-8(2)11(20)19(12(18)21)10-7-9(4-5-17-10)13(14,15)16/h3-5,7-8,11,20H,1,6H2,2H3
InChIKeyOKHFXSARIIBVFI-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.24
Rot. Bonds3

About 4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 118019251) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID118019251
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESC=CCN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1C
InChIInChI=1S/C13H14F3N3O2/c1-3-6-18-8(2)11(20)19(12(18)21)10-7-9(4-5-17-10)13(14,15)16/h3-5,7-8,11,20H,1,6H2,2H3
InChIKeyOKHFXSARIIBVFI-UHFFFAOYSA-N
XLogP2.24
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane
CID 144825969
(3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one
CID 134203858
(4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 135130164
4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019274
4-hydroxy-1-methyl-5-propan-2-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019269
1-(5-cyclohexyl-1,2-oxazol-3-yl)-5-hydroxy-4-methyl-3-prop-2-enylimidazolidin-2-one
CID 20560769
(4R)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-4-[(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyimidazolidin-2-one
CID 155073765
(5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 142474446
(4S,5S)-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-4-[(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyimidazolidin-2-one
CID 155073774
(5S)-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-ol
CID 151784709
2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 79372086
2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one
CID 123829342

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 118019251) is 4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is C=CCN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1C.
What is the InChIKey of 4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is OKHFXSARIIBVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-3-6-18-8(2)11(20)19(12(18)21)10-7-9(4-5-17-10)13(14,15)16/h3-5,7-8,11,20H,1,6H2,2H3.
What are the key properties of 4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 301.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 118019251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).