(5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

C18H24F3N3O6 — CID 142474446

IUPAC(5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCON1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O[C@@H]2CC(O)[C@H](O)C(CO)C2)[C@@H]1C
InChIInChI=1S/C18H24F3N3O6/c1-9-16(30-12-5-10(8-25)15(27)13(26)7-12)23(17(28)24(9)29-2)14-6-11(3-4-22-14)18(19,20)21/h3-4,6,9-10,12-13,15-16,25-27H,5,7-8H2,1-2H3/t9-,10?,12-,13?,15+,16?/m0/s1
InChIKeyQGNZJHKPMFNCKW-FEGVNZDYSA-N
MW435.40 g/mol
LogP1.13
Rot. Bonds5

About (5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

(5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 142474446) has the molecular formula C18H24F3N3O6 and a molecular weight of 435.40 g/mol. Its IUPAC name is (5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID142474446
Molecular FormulaC18H24F3N3O6
Molecular Weight435.40 g/mol
Exact Mass435.16
IUPAC Name(5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCON1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O[C@@H]2CC(O)[C@H](O)C(CO)C2)[C@@H]1C
InChIInChI=1S/C18H24F3N3O6/c1-9-16(30-12-5-10(8-25)15(27)13(26)7-12)23(17(28)24(9)29-2)14-6-11(3-4-22-14)18(19,20)21/h3-4,6,9-10,12-13,15-16,25-27H,5,7-8H2,1-2H3/t9-,10?,12-,13?,15+,16?/m0/s1
InChIKeyQGNZJHKPMFNCKW-FEGVNZDYSA-N
XLogP1.13
TPSA115.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(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
(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
(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 155915627
4-hydroxy-5-methyl-1-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019251
(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
4-hydroxy-1-methyl-5-propan-2-yloxy-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 118019269
2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 79372086
(3S)-2-hydroxy-3,5-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyridin-6-one
CID 134203858
[5-ethoxy-1-methyl-2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-4-yl] 2-phenylacetate
CID 166955525
1-[4-(2-fluoropropan-2-yl)-2-pyridinyl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;propane
CID 144825969

Frequently Asked Questions

What is the IUPAC name of (5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of (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) is (5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for (5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for (5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is CON1C(=O)N(c2cc(C(F)(F)F)ccn2)C(O[C@@H]2CC(O)[C@H](O)C(CO)C2)[C@@H]1C.
What is the InChIKey of (5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is QGNZJHKPMFNCKW-FEGVNZDYSA-N. The full InChI is InChI=1S/C18H24F3N3O6/c1-9-16(30-12-5-10(8-25)15(27)13(26)7-12)23(17(28)24(9)29-2)14-6-11(3-4-22-14)18(19,20)21/h3-4,6,9-10,12-13,15-16,25-27H,5,7-8H2,1-2H3/t9-,10?,12-,13?,15+,16?/m0/s1.
What are the key properties of (5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
(5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 435.40 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-[(1S,4R)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 142474446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).