(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one

C47H64F12N14O9 — CID 159012140

IUPAC(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
SMILESC.C.CC1[C@H](C)N(C)C(=O)N1c1cc(C(F)(F)F)n(C)n1.CCO[C@@H]1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CCO[C@H]1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.C[C@@H]1C(O)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C
InChIInChI=1S/2C12H14F3N3O3.C11H15F3N4O.C10H13F3N4O2.2CH4/c2*1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15;1-6-7(2)18(10(19)16(6)3)9-5-8(11(12,13)14)17(4)15-9;1-5-8(18)17(9(19)15(5)2)7-4-6(10(11,12)13)16(3)14-7;;/h2*4-6,9-10,19H,3H2,1-2H3;5-7H,1-4H3;4-5,8,18H,1-3H3;2*1H4/t2*9?,10-;6-,7?;5-,8?;;/m1001../s1
InChIKeyJSPYGBULFOBQTP-YXOHTPLASA-N
MW1197.09 g/mol
LogP7.68
Rot. Bonds8

About (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one

(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one (PubChem CID 159012140) has the molecular formula C47H64F12N14O9 and a molecular weight of 1197.09 g/mol. Its IUPAC name is (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
PubChem CID159012140
Molecular FormulaC47H64F12N14O9
Molecular Weight1197.09 g/mol
Exact Mass1196.48
IUPAC Name(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
SMILESC.C.CC1[C@H](C)N(C)C(=O)N1c1cc(C(F)(F)F)n(C)n1.CCO[C@@H]1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CCO[C@H]1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.C[C@@H]1C(O)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C
InChIInChI=1S/2C12H14F3N3O3.C11H15F3N4O.C10H13F3N4O2.2CH4/c2*1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15;1-6-7(2)18(10(19)16(6)3)9-5-8(11(12,13)14)17(4)15-9;1-5-8(18)17(9(19)15(5)2)7-4-6(10(11,12)13)16(3)14-7;;/h2*4-6,9-10,19H,3H2,1-2H3;5-7H,1-4H3;4-5,8,18H,1-3H3;2*1H4/t2*9?,10-;6-,7?;5-,8?;;/m1001../s1
InChIKeyJSPYGBULFOBQTP-YXOHTPLASA-N
XLogP7.68
TPSA234.77 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001197.09
LogP ≤ 57.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one with MolForge

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Related Compounds

(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;(5S)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 157433884
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 157839399
1,4-Dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;1-methoxy-4,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1,4,5-trimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 158455521
(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;methane;(5R)-1-methoxy-4,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-1,4,5-trimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 158607635
4,5-dimethyl-1H-pyrazole;2-(3,4-dimethylpyrazol-1-yl)ethanol;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);bis(2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol);4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
CID 159038795
(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 160256605
1,4-Dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1-methoxy-4,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1,4,5-trimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 160630477
(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-4-ethoxy-5-hydroxy-3-methylimidazolidin-2-one;(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 160828815
(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-1-methoxy-4,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-1,4,5-trimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 160896203
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;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;1-methoxy-4,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;1,4,5-trimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 161232121
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-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 165020042

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The IUPAC name of (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one (CID 159012140) is (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The canonical SMILES for (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one is C.C.CC1[C@H](C)N(C)C(=O)N1c1cc(C(F)(F)F)n(C)n1.CCO[C@@H]1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CCO[C@H]1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.C[C@@H]1C(O)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C.
What is the InChIKey of (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The InChIKey is JSPYGBULFOBQTP-YXOHTPLASA-N. The full InChI is InChI=1S/2C12H14F3N3O3.C11H15F3N4O.C10H13F3N4O2.2CH4/c2*1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15;1-6-7(2)18(10(19)16(6)3)9-5-8(11(12,13)14)17(4)15-9;1-5-8(18)17(9(19)15(5)2)7-4-6(10(11,12)13)16(3)14-7;;/h2*4-6,9-10,19H,3H2,1-2H3;5-7H,1-4H3;4-5,8,18H,1-3H3;2*1H4/t2*9?,10-;6-,7?;5-,8?;;/m1001../s1.
What are the key properties of (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
(5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one has a molecular weight of 1197.09 g/mol, XLogP of 7.68, 8 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(5R)-4-hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one;methane;(5S)-1,4,5-trimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 159012140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).