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

C71H92F15N19O12 — CID 161035746

IUPAC1-(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
SMILESCC1C(C)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CC1C(C)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C.CC1CN(C)C(=O)N1c1cc(C(F)(F)F)ccn1.CC1NC(=O)N(c2cc(C(F)(F)F)ccn2)C1C.CCOC1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C.CCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CO
InChIInChI=1S/C13H21N3O4.C12H14F3N3O3.C12H14F3N3O.C11H15F3N4O.2C11H12F3N3O.CH4O/c1-6-19-11-10(17)16(12(18)15(11)5)9-7-8(20-14-9)13(2,3)4;1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15;1-7-8(2)18(11(19)17(7)3)10-6-9(4-5-16-10)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;1-7-6-16(2)10(18)17(7)9-5-8(3-4-15-9)11(12,13)14;1-6-7(2)17(10(18)16-6)9-5-8(3-4-15-9)11(12,13)14;1-2/h7,10-11,17H,6H2,1-5H3;4-6,9-10,19H,3H2,1-2H3;4-8H,1-3H3;5-7H,1-4H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,16,18);2H,1H3
InChIKeyUAFOUTFWZBIXPA-UHFFFAOYSA-N
MW1688.61 g/mol
LogP12.39
Rot. Bonds10

About 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

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 (PubChem CID 161035746) has the molecular formula C71H92F15N19O12 and a molecular weight of 1688.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID161035746
Molecular FormulaC71H92F15N19O12
Molecular Weight1688.61 g/mol
Exact Mass1687.69
IUPAC Name1-(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
SMILESCC1C(C)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CC1C(C)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C.CC1CN(C)C(=O)N1c1cc(C(F)(F)F)ccn1.CC1NC(=O)N(c2cc(C(F)(F)F)ccn2)C1C.CCOC1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C.CCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CO
InChIInChI=1S/C13H21N3O4.C12H14F3N3O3.C12H14F3N3O.C11H15F3N4O.2C11H12F3N3O.CH4O/c1-6-19-11-10(17)16(12(18)15(11)5)9-7-8(20-14-9)13(2,3)4;1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15;1-7-8(2)18(11(19)17(7)3)10-6-9(4-5-16-10)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;1-7-6-16(2)10(18)17(7)9-5-8(3-4-15-9)11(12,13)14;1-6-7(2)17(10(18)16-6)9-5-8(3-4-15-9)11(12,13)14;1-2/h7,10-11,17H,6H2,1-5H3;4-6,9-10,19H,3H2,1-2H3;4-8H,1-3H3;5-7H,1-4H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,16,18);2H,1H3
InChIKeyUAFOUTFWZBIXPA-UHFFFAOYSA-N
XLogP12.39
TPSA324.65 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001688.61
LogP ≤ 512.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

(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
3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 159250540
(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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C(C)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CC1C(C)N(c2cc(C(F)(F)F)n(C)n2)C(=O)N1C.CC1CN(C)C(=O)N1c1cc(C(F)(F)F)ccn1.CC1NC(=O)N(c2cc(C(F)(F)F)ccn2)C1C.CCOC1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C.CCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CO.
What is the InChIKey of 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?
The InChIKey is UAFOUTFWZBIXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4.C12H14F3N3O3.C12H14F3N3O.C11H15F3N4O.2C11H12F3N3O.CH4O/c1-6-19-11-10(17)16(12(18)15(11)5)9-7-8(20-14-9)13(2,3)4;1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15;1-7-8(2)18(11(19)17(7)3)10-6-9(4-5-16-10)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;1-7-6-16(2)10(18)17(7)9-5-8(3-4-15-9)11(12,13)14;1-6-7(2)17(10(18)16-6)9-5-8(3-4-15-9)11(12,13)14;1-2/h7,10-11,17H,6H2,1-5H3;4-6,9-10,19H,3H2,1-2H3;4-8H,1-3H3;5-7H,1-4H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,16,18);2H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1688.61 g/mol, XLogP of 12.39, 10 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161035746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).