Tetrahydro-3a,6a-diphenylimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
Basic information
- CAS
101241-21-8- Standard SMILES
O=C1NC2(c3ccccc3)NC(=O)NC2(c2ccccc2)N1- InChIKey
WUDVGTHXCLJVJN-UHFFFAOYSA-N- Molecular formula
- C16H14N4O2
- Average molar mass
- 294.31 g/mol
- Monoisotopic mass
- 294.1116757
Names & identifiers
- Preferred name
- Tetrahydro-3a,6a-diphenylimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
- IUPAC
- 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
- English name
- 3a,6a-Diphenyloctahydroimidazo[4,5-d]imidazole-2,5-dione
- Molecular formula
- C16H14N4O2
- Molecular weight
- 294.31
Names & synonyms
5157-15-3GLYCOLURIL, 3a,6a-DIPHENYL-DTXSID80199522Tetrahydro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5(1H,3H)-dioneTetrahydro-3a,6a-diphenylimidazo(4,5-d)imidazole-2,5(1H,3H)-dioneRefChem:1099684DTXCID40122013Diphenylglycoluril3a,6a-Diphenylglycoluril3a,6a-Diphenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione7,8-Diphenylglycoluril3a,6a-Diphenyloctahydroimidazo[4,5-d]imidazole-2,5-dione
Show more names
Phenytoin Impurity DPhenytoin EP impurity D3a,6a-DiphenylglycourilPhenytoin Sodium EP Impurity D3a,6a-Diphenyltetra-hydroimidazo[4,Phenytoin Impurity 4(Phenytoin EP Impurity D)
Diphenylglycoluril, cis-3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dioneNSC 87602NSC 144422NSC-87602NSC-144422MLS002694765Imidazo(4,5-d)imidazole-2,5(1H,3H)-dione, tetrahydro-3a,6a-diphenyl-
Database identifiers
- CAS
101241-21-8、5157-15-3- PubChem CID
- 21237
- DTXSID
DTXSID80199522- ChEMBL
CHEMBL1904613- UNII
- C15I92344M
- Nikkaji
- J1.746.803K、J15.108D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Melting point
- 300 °C · >300°C
- Boiling point
- 677.1 · 677.1±55.0 °C(Predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly, Heated), Ethanol (Slightly)
- form
- Solid
- pka
- 11 · 11+-.0.60(Predicted)
- color
- White to Off-White
- FDA UNII
- 15 I92344M · C15I92344M
Chemistry & industry
Applications
UsesA bicyclic bis-urea derivative. Studies suggest that it has potential anticonvulsant activity. An impurity found in the synthesis of Phenytoin (D491650).
UsesDiphenylglycoluril is a bicyclic bis-urea derivative. Studies suggest that it has potential anticonvulsant activity.Diphenylglycoluril is also an impurity found in the synthesis of Phenytoin (D491650).
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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