4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one

C12H12F5N3O3 — CID 118019274

IUPAC4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCON1C(=O)N(c2cc(C(F)(F)C(F)(F)F)ccn2)C(O)C1C
InChIInChI=1S/C12H12F5N3O3/c1-6-9(21)19(10(22)20(6)23-2)8-5-7(3-4-18-8)11(13,14)12(15,16)17/h3-6,9,21H,1-2H3
InChIKeyWBSKOCFIKUEGCG-UHFFFAOYSA-N
MW341.24 g/mol
LogP2.25
Rot. Bonds3

About 4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one

4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 118019274) has the molecular formula C12H12F5N3O3 and a molecular weight of 341.24 g/mol. Its IUPAC name is 4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID118019274
Molecular FormulaC12H12F5N3O3
Molecular Weight341.24 g/mol
Exact Mass341.08
IUPAC Name4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCON1C(=O)N(c2cc(C(F)(F)C(F)(F)F)ccn2)C(O)C1C
InChIInChI=1S/C12H12F5N3O3/c1-6-9(21)19(10(22)20(6)23-2)8-5-7(3-4-18-8)11(13,14)12(15,16)17/h3-6,9,21H,1-2H3
InChIKeyWBSKOCFIKUEGCG-UHFFFAOYSA-N
XLogP2.25
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane
CID 144825969
4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019251
(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)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 142474446
(3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one
CID 134203858
4-hydroxy-1-methyl-5-propan-2-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019269
(4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 135130164
(5S)-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-ol
CID 151784709
(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
2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 79372086
1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,5-dione
CID 76900169
[(4R,5R)-5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 138554329

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one (CID 118019274) is 4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one is CON1C(=O)N(c2cc(C(F)(F)C(F)(F)F)ccn2)C(O)C1C.
What is the InChIKey of 4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is WBSKOCFIKUEGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5N3O3/c1-6-9(21)19(10(22)20(6)23-2)8-5-7(3-4-18-8)11(13,14)12(15,16)17/h3-6,9,21H,1-2H3.
What are the key properties of 4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one?
4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 341.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methoxy-5-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 118019274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).