Basic information
- CAS
747-04-6- Standard SMILES
CC1(C)NC(=O)N(CN2CCN(CN3C(=O)NC(C)(C)C3=O)CC2)C1=O- InChIKey
QVSDOAFDCXLLFP-UHFFFAOYSA-N- Molecular formula
- C16H26N6O4
- Average molar mass
- 366.42 g/mol
- Monoisotopic mass
- 366.20155333
Names & identifiers
- Preferred name
- Hydantoin, 3,3'-(1,4-piperazinediyldimethylene)bis(5,5-dimethyl-
- IUPAC
- 3-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
- English name
- 3,3-(piperazine-1,4-diylbis(methylene))bis(5,5-dimethylimidazolidine-2,4-dione)
- Molecular formula
- C16H26N6O4
- Molecular weight
- 366.42
Names & synonyms
747-04-6Hydantoin, 3,3'-(1,4-piperazinediyldimethylene)bis(5,5-dimethyl-NSC 150488BRN 07225583,3'-(1,4-Piperazinediyldimethylene)bis(5,5-dimethylhydantoin)DTXSID702256825-24-05-00349 (Beilstein Handbook Reference)RefChem:347879DTXCID001481733,3'-(piperazine-1,4-diylbis(methylene))bis(5,5-dimethylimidazolidine-2,4-dione)F1279-00503-({4-[(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)methyl]-1-piperazinyl}methyl)-5,5-dimethyl-2,4-imidazolidinedione
Show more names
3,3-(piperazine-1,4-diylbis(methylene))bis(5,5-dimethylimidazolidine-2,4-dione)2,4-Imidazolidinedione, 3,3'-[1,4-piperazinediylbis(methylene)]bis[5,5-dimethyl- (9CI)
3,3'-[Piperazine-1,4-diylbis(methylene)]bis(5,5-dimethylimidazolidine-2,4-dione)NSC1504883-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione3,3'-(piperazine-1,4-diyldimethanediyl)bis(5,5-dimethylimidazolidine-2,4-dione)Oprea1_158766SMSSF-0613267STK844316AKOS001659694
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- Melting point
- 248 · 248-249 °C
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- 8.22 · 8.22±0.70(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
SPECS[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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