(4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

C12H14F3N3O3 — CID 135130164

IUPAC(4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCO[C@@H]1[C@@H](O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/C12H14F3N3O3/c1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15/h4-6,9-10,19H,3H2,1-2H3/t9-,10-/m1/s1
InChIKeyPHZSPMUIHAUXQQ-NXEZZACHSA-N
MW305.26 g/mol
LogP1.65
Rot. Bonds3

About (4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

(4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 135130164) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is (4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID135130164
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name(4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCO[C@@H]1[C@@H](O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/C12H14F3N3O3/c1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15/h4-6,9-10,19H,3H2,1-2H3/t9-,10-/m1/s1
InChIKeyPHZSPMUIHAUXQQ-NXEZZACHSA-N
XLogP1.65
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-methyl-5-propan-2-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019269
[5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate
CID 166955525
[(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
1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane
CID 144825969
1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;1,4-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methanol;1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;1,4,5-trimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 161035746
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one
CID 118613741
4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019251
(3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one
CID 134203858
(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
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-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 121324927
5-hydroxy-1-[5-iodo-4-(trifluoromethyl)-2-pyridinyl]-4-methoxy-3-methylimidazolidin-2-one
CID 118019265

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of (4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 135130164) is (4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for (4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is CCO[C@@H]1[C@@H](O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.
What is the InChIKey of (4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is PHZSPMUIHAUXQQ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15/h4-6,9-10,19H,3H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
(4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 305.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 135130164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).