
 SMR000082495

 54 58  0  0  0  0  0  0  0  0999 V2000
    0.3699    1.1861    0.2643 C   0  0  0  0  0
   -1.1532    1.0402    0.1552 C   0  0  0  0  0
   -1.5971   -0.0857   -0.6959 N   0  0  0  0  0
   -0.9228   -1.3340   -0.2794 C   0  0  0  0  0
    0.5977   -1.2076   -0.2373 C   0  0  0  0  0
    1.0608   -0.1031    0.7236 C   0  0  0  0  0
    0.8904   -0.4440    2.1434 N   0  0  0  0  0
    1.5152   -1.5431    2.7807 C   0  0  0  0  0
    2.3974   -2.4949    2.3136 C   0  0  0  0  0
    2.8292   -3.4791    3.2138 C   0  0  0  0  0
    2.3891   -3.4872    4.5527 C   0  0  0  0  0
    1.5219   -2.5010    5.0241 C   0  0  0  0  0
    1.1160   -1.5487    4.1170 C   0  0  0  0  0
    0.3071   -0.4480    4.3332 N   0  0  0  0  0
    0.1952    0.2824    3.1452 C   0  0  0  0  0
   -0.3966    1.3458    3.0666 O   0  0  0  0  0
   -3.0838   -0.2525   -0.5863 C   0  0  0  0  0
   -3.9017    0.9551   -1.0573 C   0  0  0  0  0
   -4.4805    0.5370   -2.3722 C   0  0  0  0  0
   -5.1176    1.2805   -3.1044 O   0  0  0  0  0
   -4.2699   -0.7936   -2.5500 N   0  0  0  0  0
   -3.6151   -1.3609   -1.4962 C   0  0  0  0  0
   -3.5070   -2.5627   -1.2839 O   0  0  0  0  0
   -4.8230   -1.5471   -3.6511 C   0  0  0  0  0
   -3.7939   -1.8028   -4.7254 C   0  0  0  0  0
   -3.0191   -2.9715   -4.7008 C   0  0  0  0  0
   -2.0668   -3.2104   -5.6920 C   0  0  0  0  0
   -1.8722   -2.2798   -6.7107 C   0  0  0  0  0
   -2.6225   -1.1051   -6.7340 C   0  0  0  0  0
   -3.5759   -0.8636   -5.7434 C   0  0  0  0  0
    0.7584    1.4553   -0.7281 H   0  0  0  0  0
    0.6265    2.0267    0.9182 H   0  0  0  0  0
   -1.5149    1.9862   -0.2593 H   0  0  0  0  0
   -1.6072    0.9404    1.1436 H   0  0  0  0  0
   -1.2884   -1.6710    0.6990 H   0  0  0  0  0
   -1.1378   -2.1264   -1.0038 H   0  0  0  0  0
    1.0204   -2.1826    0.0150 H   0  0  0  0  0
    0.9634   -0.9771   -1.2477 H   0  0  0  0  0
    2.1418    0.0386    0.5922 H   0  0  0  0  0
    2.7688   -2.4938    1.2968 H   0  0  0  0  0
    3.5204   -4.2490    2.8759 H   0  0  0  0  0
    2.7398   -4.2647    5.2281 H   0  0  0  0  0
    1.1912   -2.4876    6.0555 H   0  0  0  0  0
   -0.0954   -0.1482    5.2053 H   0  0  0  0  0
   -3.3627   -0.4953    0.4480 H   0  0  0  0  0
   -3.3371    1.8782   -1.1894 H   0  0  0  0  0
   -4.7260    1.1457   -0.3596 H   0  0  0  0  0
   -5.6754   -1.0069   -4.0806 H   0  0  0  0  0
   -5.2098   -2.5013   -3.2744 H   0  0  0  0  0
   -3.1523   -3.7014   -3.9038 H   0  0  0  0  0
   -1.4756   -4.1219   -5.6665 H   0  0  0  0  0
   -1.1314   -2.4673   -7.4834 H   0  0  0  0  0
   -2.4638   -0.3749   -7.5234 H   0  0  0  0  0
   -4.1487    0.0622   -5.7690 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  2  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 12 13  2  0  0  0
 12 43  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 15 16  2  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 50  1  0  0  0
 27 28  2  0  0  0
 27 51  1  0  0  0
 28 29  1  0  0  0
 28 52  1  0  0  0
 29 30  2  0  0  0
 29 53  1  0  0  0
 30 54  1  0  0  0
M  END

>  <Chemical Name>
SMR000082495

>  <PubChem CID>
2982527

>  <Formula>
C23H24N4O3

>  <Molecular Weight>
404.470000

>  <IUPAC Name>
1-benzyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-2,5-dione

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1N2C3=CC=CC=C3NC2=O)C4CC(=O)N(C4=O)CC5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCC1N2C3=CC=CC=C3NC2=O)C4CC(=O)N(C4=O)CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C23H24N4O3/c28-21-14-20(22(29)26(21)15-16-6-2-1-3-7-16)25-12-10-17(11-13-25)27-19-9-5-4-8-18(19)24-23(27)30/h1-9,17,20H,10-15H2,(H,24,30)

>  <InChI Key>
AAAWRDCWFBVNLC-UHFFFAOYSA-N

