1,3,4,6-tetramethyl-octahydroimidazo[4,5-d]imidazolidine-2,5-dione

• ChemBase ID: 59294
• Molecular Formular: C8H14N4O2
• Molecular Mass: 198.22236
• Monoisotopic Mass: 198.11167571
• SMILES: C1(=O)N(C2C(N1C)N(C(=O)N2C)C)C
• Canonical SMILES: CN1C(=O)N(C2C1N(C)C(=O)N2C)C
• InChI: InChI=1S/C8H14N4O2/c1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2/h5-6H,1-4H3
• InChIKey: XIUUSFJTJXFNGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,4,6-tetramethyl-octahydroimidazo[4,5-d]imidazolidine-2,5-dione
• IUPAC Traditional name: 1,3,4,6-tetramethyl-dihydroimidazo[4,5-d]imidazolidine-2,5-dione; 1,3,4,6-tetramethyl-octahydroimidazo[4,5-d]imidazolidine-2,5-dione
• Synonyms: 1,3,4,6-Tetramethyltetrahydroimidazo[4,5-d]-imidazole-2,5(1H,3H)-dione; Mebicar

Database IDs

• CAS Number: 10095-06-4
• MDL Number: MFCD00184215
• PubChem SID: 162064057
• PubChem CID: 122282

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.8010779
• LogD (pH = 7.4): -0.8010779
• Log P: -0.8010779
• Molar Refractivity: 49.027 cm^3
• Polarizability: 18.812815 Å^3
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Application(s): Psychosedative; Tranquilizer