Cas no 454422-74-3 ((3Ar,6aR)-1,4-Diethyl-3,6-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione)

(3Ar,6aR)-1,4-Diethyl-3,6-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione structure
454422-74-3 structure
Product Name:(3Ar,6aR)-1,4-Diethyl-3,6-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CAS No:454422-74-3
MF:C10H18N4O2
MW:226.275521755219
CID:929912
Update Time:2023-08-02

(3Ar,6aR)-1,4-Diethyl-3,6-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione Chemical and Physical Properties

Names and Identifiers

    • Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 1,4-diethyltetrahydro-3,6-dimethyl-, (3aR,6aR)- (9CI)
    • (3aR,6aR)-1,4-Diethyl-3,6-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
    • (3Ar,6aR)-1,4-Diethyl-3,6-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
    • Inchi: 1S/C10H18N4O2/c1-5-13-7-8(12(4)9(13)15)14(6-2)10(16)11(7)3/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1
    • InChI Key: OYMJBLPBWFQYBE-HTQZYQBOSA-N
    • SMILES: O=C1N(C)[C@H]2[C@H](N(C)C(N2CC)=O)N1CC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 301
  • Topological Polar Surface Area: 47.1
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