(5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

C33H34F9N9O6 — CID 159867256

About (5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

(5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 159867256) has the molecular formula C33H34F9N9O6 and a molecular weight of 823.67 g/mol. Its IUPAC name is (5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
• PubChem CID: 159867256
• Molecular Formula: C33H34F9N9O6
• Molecular Weight: 823.67 g/mol
• Exact Mass: 823.25
• IUPAC Name: (5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
• SMILES: C[C@H]1C(=O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.C[C@H]1[C@@H](O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.C[C@H]1[C@H](O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C
• InChI: InChI=1S/2C11H12F3N3O2.C11H10F3N3O2/c3*1-6-9(18)17(10(19)16(6)2)8-5-7(3-4-15-8)11(12,13)14/h2*3-6,9,18H,1-2H3;3-6H,1-2H3/t6-,9+;6-,9-;6-/m000/s1
• InChIKey: NRWSJIDHMWIHHS-NOFOFMKGSA-N
• XLogP: 5.25
• TPSA: 166.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.67
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?

The IUPAC name of (5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 159867256) is (5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

What is the SMILES notation for (5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?

The canonical SMILES for (5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is C[C@H]1C(=O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.C[C@H]1[C@@H](O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.C[C@H]1[C@H](O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.

What is the InChIKey of (5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?

The InChIKey is NRWSJIDHMWIHHS-NOFOFMKGSA-N. The full InChI is InChI=1S/2C11H12F3N3O2.C11H10F3N3O2/c3*1-6-9(18)17(10(19)16(6)2)8-5-7(3-4-15-8)11(12,13)14/h2*3-6,9,18H,1-2H3;3-6H,1-2H3/t6-,9+;6-,9-;6-/m000/s1.

What are the key properties of (5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?

(5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 823.67 g/mol, XLogP of 5.25, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;(4R,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;(4S,5S)-4-hydroxy-1,5-dimethyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 159867256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).