
 BDBM50009714

 55 58  0  0  0  0  0  0  0  0999 V2000
    0.5255    0.9249   -2.6115 C   0  0  0  0  0
    1.2430    2.2593   -2.7332 C   0  0  0  0  0
    2.4792    2.3153   -1.8372 C   0  0  0  0  0
    3.1807    3.6641   -1.9594 C   0  0  0  0  0
    4.4107    3.7167   -1.0870 C   0  0  0  0  0
    5.4886    3.0750   -1.4581 N   0  0  0  0  0
    6.4444    3.2649   -0.3396 C   0  0  0  0  0
    5.8727    4.3918    0.5461 C   0  0  0  0  0
    4.4760    4.4502    0.0809 N   0  0  0  0  0
    3.4154    4.4473    1.0825 C   0  0  0  0  0
    3.0417    5.8622    1.4560 C   0  0  0  0  0
    2.3090    6.6538    0.5624 C   0  0  0  0  0
    2.0511    7.9956    0.8454 C   0  0  0  0  0
    2.5094    8.5906    2.0297 C   0  0  0  0  0
    3.1803    7.7761    2.9549 C   0  0  0  0  0
    3.4512    6.4304    2.6690 C   0  0  0  0  0
    2.3033   10.0396    2.2495 C   0  0  0  0  0
    0.9788   10.5331    2.2203 C   0  0  0  0  0
    0.6970   11.8966    2.3426 C   0  0  0  0  0
    1.7324   12.8033    2.5112 C   0  0  0  0  0
    3.0469   12.3439    2.5696 C   0  0  0  0  0
    3.3518   10.9731    2.4366 C   0  0  0  0  0
    4.7660   10.6054    2.4624 C   0  0  0  0  0
    5.6858   11.2159    3.2308 N   0  0  0  0  0
    6.7887   10.5489    2.8582 N   0  0  0  0  0
    6.6196    9.6235    1.9127 N   0  0  0  0  0
    5.3190    9.6451    1.6476 N   0  0  0  0  0
    6.5904    5.7130    0.2406 C   0  0  0  0  0
    6.3476    6.6508    1.2788 O   0  0  0  0  0
    6.5297    1.7219    0.5603 Cl  0  0  0  0  0
   -0.3563    0.9095   -3.2590 H   0  0  0  0  0
    0.1953    0.7505   -1.5828 H   0  0  0  0  0
    1.1801    0.0996   -2.9080 H   0  0  0  0  0
    0.5512    3.0655   -2.4642 H   0  0  0  0  0
    1.5342    2.4170   -3.7783 H   0  0  0  0  0
    3.1713    1.5086   -2.1097 H   0  0  0  0  0
    2.1908    2.1371   -0.7941 H   0  0  0  0  0
    2.5022    4.4779   -1.6945 H   0  0  0  0  0
    3.4969    3.8297   -2.9960 H   0  0  0  0  0
    7.4470    3.4787   -0.7210 H   0  0  0  0  0
    5.9484    4.1696    1.6163 H   0  0  0  0  0
    3.7207    3.8806    1.9710 H   0  0  0  0  0
    2.5154    3.9428    0.7130 H   0  0  0  0  0
    1.9604    6.2400   -0.3805 H   0  0  0  0  0
    1.5142    8.5868    0.1085 H   0  0  0  0  0
    3.5390    8.1931    3.8953 H   0  0  0  0  0
    4.0265    5.8459    3.3853 H   0  0  0  0  0
    0.1459    9.8440    2.0905 H   0  0  0  0  0
   -0.3324   12.2450    2.2984 H   0  0  0  0  0
    1.5240   13.8679    2.5942 H   0  0  0  0  0
    3.8463   13.0692    2.6985 H   0  0  0  0  0
    7.6966   10.7397    3.2592 H   0  0  0  0  0
    6.2922    6.1494   -0.7195 H   0  0  0  0  0
    7.6751    5.5610    0.2194 H   0  0  0  0  0
    5.5691    7.1855    1.0272 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
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 11 12  2  0  0  0
 11 16  1  0  0  0
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 12 44  1  0  0  0
 13 14  2  0  0  0
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 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 46  1  0  0  0
 16 47  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 48  1  0  0  0
 19 20  2  0  0  0
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 20 21  1  0  0  0
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 23 24  2  0  0  0
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 24 25  1  0  0  0
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M  END

>  <Chemical Name>
BDBM50009714

>  <PubChem CID>
44330456

>  <Formula>
C22H25ClN6O

>  <Molecular Weight>
424.933000

>  <IUPAC Name>
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydroimidazol-4-yl]methanol

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCC1=NC(C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl

>  <Isomeric SMILES>
CCCCC1=NC(C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl

>  <InChI Std. ID>
InChI=1S/C22H25ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)

>  <InChI Key>
JGABCUJSSAEYFF-UHFFFAOYSA-N

