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

C22H24F6N6O6 — CID 161392307

IUPAC4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1O
InChIInChI=1S/C12H14F3N3O3.C10H10F3N3O3/c1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15;1-15-7(17)8(18)16(9(15)19)6-4-5(2-3-14-6)10(11,12)13/h4-6,9-10,19H,3H2,1-2H3;2-4,7-8,17-18H,1H3
InChIKeyVTDLBAAAYMMTRV-UHFFFAOYSA-N
MW582.46 g/mol
LogP2.26
Rot. Bonds4

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

4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 161392307) has the molecular formula C22H24F6N6O6 and a molecular weight of 582.46 g/mol. Its IUPAC name is 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID161392307
Molecular FormulaC22H24F6N6O6
Molecular Weight582.46 g/mol
Exact Mass582.17
IUPAC Name4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1O
InChIInChI=1S/C12H14F3N3O3.C10H10F3N3O3/c1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15;1-15-7(17)8(18)16(9(15)19)6-4-5(2-3-14-6)10(11,12)13/h4-6,9-10,19H,3H2,1-2H3;2-4,7-8,17-18H,1H3
InChIKeyVTDLBAAAYMMTRV-UHFFFAOYSA-N
XLogP2.26
TPSA142.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.46
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[1-[5-(Trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487397
4-Hydroxy-1-methyl-3-[5-(trifluoromethyl)pyridin-2-yl]imidazolidin-2-one
CID 13655769
(5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 56928407
(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 56929782
(5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 56929783
tert-butyl (1S,4S)-7-hydroxy-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 58305901
(5R)-3-[2,3-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66678811
Tert-butyl 7-hydroxy-5-[4-(trifluoromethyl)pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 67229572
tert-butyl (1R,4S)-7-hydroxy-5-[4-(trifluoromethyl)pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 67229573
Tert-butyl 7-fluoro-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 67229887
tert-butyl (1R,4S)-7-fluoro-5-[4-(trifluoromethyl)pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 67229888
tert-butyl (1R,4R)-7-hydroxy-5-[4-(trifluoromethyl)pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 68316168

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 161392307) is 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is CCOC1C(O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.CN1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O)C1O.
What is the InChIKey of 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is VTDLBAAAYMMTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3.C10H10F3N3O3/c1-3-21-10-9(19)18(11(20)17(10)2)8-6-7(4-5-16-8)12(13,14)15;1-15-7(17)8(18)16(9(15)19)6-4-5(2-3-14-6)10(11,12)13/h4-6,9-10,19H,3H2,1-2H3;2-4,7-8,17-18H,1H3.
What are the key properties of 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 582.46 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-ethoxy-4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 161392307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).