
 CHEMBL483251

 41 45  0  0  0  0  0  0  0  0999 V2000
   -1.4516    0.5361    1.3374 C   0  0  0  0  0
   -2.8897    0.0607    1.5339 C   0  0  0  0  0
   -3.6780    0.3802    0.3439 N   0  0  0  0  0
   -3.1870   -0.2744   -0.8778 C   0  0  0  0  0
   -1.7560    0.1765   -1.1693 C   0  0  0  0  0
   -0.8561   -0.0542    0.0513 C   0  0  0  0  0
    0.5463    0.3970   -0.1755 C   0  0  0  0  0
    1.0582    1.6625   -0.4175 C   0  0  0  0  0
    2.4409    1.8013   -0.5830 C   0  0  0  0  0
    3.2909    0.6848   -0.5070 C   0  0  0  0  0
    2.7664   -0.5843   -0.2659 C   0  0  0  0  0
    1.3955   -0.6905   -0.1058 C   0  0  0  0  0
    0.6137   -1.8872    0.1589 C   0  0  0  0  0
    1.0342   -3.0192    0.2901 O   0  0  0  0  0
   -0.6894   -1.4888    0.2419 O   0  0  0  0  0
   -4.3042    1.5780    0.1930 C   0  0  0  0  0
   -4.5505    2.2221   -0.9266 N   0  0  0  0  0
   -5.2596    3.3416   -0.5779 C   0  0  0  0  0
   -5.7876    4.3563   -1.3872 C   0  0  0  0  0
   -6.4884    5.4059   -0.7754 C   0  0  0  0  0
   -6.6556    5.4430    0.6176 C   0  0  0  0  0
   -6.1340    4.4301    1.4371 C   0  0  0  0  0
   -5.4453    3.3983    0.7961 C   0  0  0  0  0
   -4.8374    2.2599    1.2598 N   0  0  0  0  0
   -7.5093    6.7254    1.4071 Cl  0  0  0  0  0
   -7.1306    6.6355   -1.8107 Cl  0  0  0  0  0
   -0.8618    0.2319    2.2115 H   0  0  0  0  0
   -1.4313    1.6328    1.2973 H   0  0  0  0  0
   -2.9088   -1.0246    1.6947 H   0  0  0  0  0
   -3.3072    0.5012    2.4453 H   0  0  0  0  0
   -3.8338   -0.0708   -1.7402 H   0  0  0  0  0
   -3.2159   -1.3619   -0.7343 H   0  0  0  0  0
   -1.3830   -0.3828   -2.0365 H   0  0  0  0  0
   -1.7558    1.2390   -1.4442 H   0  0  0  0  0
    0.4095    2.5318   -0.4793 H   0  0  0  0  0
    2.8653    2.7855   -0.7734 H   0  0  0  0  0
    4.3633    0.8128   -0.6382 H   0  0  0  0  0
    3.4060   -1.4594   -0.2035 H   0  0  0  0  0
   -5.6541    4.3113   -2.4624 H   0  0  0  0  0
   -6.2639    4.4466    2.5140 H   0  0  0  0  0
   -4.8294    1.9425    2.2149 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6 15  1  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  2  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 16 17  2  0  0  0
 16 24  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 26  1  0  0  0
 21 22  1  0  0  0
 21 25  1  0  0  0
 22 23  2  0  0  0
 22 40  1  0  0  0
 23 24  1  0  0  0
 24 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL483251

>  <PubChem CID>
44580050

>  <Formula>
C19H15Cl2N3O2

>  <Molecular Weight>
388.248000

>  <IUPAC Name>
1'-(5,6-dichloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC12C3=CC=CC=C3C(=O)O2)C4=NC5=CC(=C(C=C5N4)Cl)Cl

>  <Isomeric SMILES>
C1CN(CCC12C3=CC=CC=C3C(=O)O2)C4=NC5=CC(=C(C=C5N4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C19H15Cl2N3O2/c20-13-9-15-16(10-14(13)21)23-18(22-15)24-7-5-19(6-8-24)12-4-2-1-3-11(12)17(25)26-19/h1-4,9-10H,5-8H2,(H,22,23)

>  <InChI Key>
GHPUUPNFOOAKIE-UHFFFAOYSA-N

