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Diphenylglycoluril

CAT: 0572-TRC-D491630-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D491630-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5157-15-3
Synonyms
Phenytoin Imp. D (EP); 3a,6a-Diphenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H, 3H)-dione; Tetrahydro-3a,6a-diphenyl-imidazo[4,5-d]imidazole-2,5(1H,3H)-dione; 3a,6a-Diphenyl-glycoluril; Diphenylglycoluril; NSC 144422; NSC 87602; Diphenyl­diacetylendiurein; Phenytoin Impurity D; Phenytoin Sodium Impurity D; Phenytoin Impurity D
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O=C1NC2(NC(=O)NC2(N1)c3ccccc3)c4ccccc4
Molecular Formula
C16 H14 N4 O2
Molecular Weight
294.31
InChI
InChI=1S/C16H14N4O2/c21-13-17-15(11-7-3-1-4-8-11)16(19-13,20-14(22)18-15)12-9-5-2-6-10-12/h1-10H,(H2,17,19,21)(H2,18,20,22)
Additionnal Information
IUPAC name: 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Tetrahydro-3a,6a-diphenylimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
CAS Number5157-15-3
PubChem CID21237
IUPAC Name3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
Molecular FormulaC16H14N4O2
Molecular Weight294.31
XLogP1
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity421
SMILES
C1=CC=C(C=C1)C23C(NC(=O)N2)(NC(=O)N3)C4=CC=CC=C4
InChI
InChI=1S/C16H14N4O2/c21-13-17-15(11-7-3-1-4-8-11)16(19-13,20-14(22)18-15)12-9-5-2-6-10-12/h1-10H,(H2,17,19,21)(H2,18,20,22)
InChIKey
WUDVGTHXCLJVJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetrahydro-3a,6a-diphenylimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
CAS: 5157-15-3
CID: 21237
Formula: C16H14N4O2
MW: 294.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.31
XLogP31
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass294.11167570
Monoisotopic Mass294.11167570
Topological Polar Surface Area82.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity421
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
010747Diphenylglycoluril

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