
 CHEMBL337232

 68 74  0  0  0  0  0  0  0  0999 V2000
    0.9117    0.5389    1.0272 C   0  0  0  0  0
    2.4311    0.5662    1.1108 C   0  0  0  0  0
    3.0456    1.0769   -0.1906 C   0  0  0  0  0
    4.5396    1.1069   -0.1288 C   0  0  0  0  0
    5.2977    0.0285   -0.1572 N   0  0  0  0  0
    6.5919    0.4707   -0.1311 C   0  0  0  0  0
    6.6431    1.8570   -0.1308 C   0  0  0  0  0
    5.3181    2.2469   -0.0513 N   0  0  0  0  0
    4.8551    3.6176    0.1345 C   0  0  0  0  0
    4.7329    3.9685    1.6005 C   0  0  0  0  0
    5.8772    4.1158    2.3936 C   0  0  0  0  0
    5.7784    4.3155    3.7704 C   0  0  0  0  0
    4.5318    4.4058    4.4088 C   0  0  0  0  0
    3.3871    4.3453    3.5978 C   0  0  0  0  0
    3.4841    4.1120    2.2163 C   0  0  0  0  0
    4.4685    4.5448    5.8841 C   0  0  0  0  0
    5.2449    5.5643    6.4852 C   0  0  0  0  0
    5.2972    5.7411    7.8700 C   0  0  0  0  0
    4.5569    4.9121    8.6981 C   0  0  0  0  0
    3.7658    3.9111    8.1374 C   0  0  0  0  0
    3.7127    3.7045    6.7399 C   0  0  0  0  0
    2.8853    2.5971    6.2663 C   0  0  0  0  0
    1.7234    2.2327    6.8455 N   0  0  0  0  0
    1.3880    1.1922    6.0709 N   0  0  0  0  0
    2.2354    0.8975    5.0832 N   0  0  0  0  0
    3.2147    1.7815    5.2083 N   0  0  0  0  0
    7.8596    2.5654   -0.1734 C   0  0  0  0  0
    9.0587    1.8324   -0.1195 C   0  0  0  0  0
    9.0038    0.4296   -0.1070 C   0  0  0  0  0
    7.7845   -0.2646   -0.1232 C   0  0  0  0  0
   10.3834    2.4813   -0.1100 C   0  0  0  0  0
   11.4546    1.9540   -0.6826 N   0  0  0  0  0
   12.4880    2.8222   -0.4593 C   0  0  0  0  0
   13.8300    2.7302   -0.8568 C   0  0  0  0  0
   14.7100    3.7609   -0.5069 C   0  0  0  0  0
   14.2610    4.8626    0.2227 C   0  0  0  0  0
   12.9262    4.9668    0.6317 C   0  0  0  0  0
   12.0641    3.9202    0.2766 C   0  0  0  0  0
   10.7331    3.6641    0.5245 N   0  0  0  0  0
    9.9002    4.4654    1.3889 C   0  0  0  0  0
    0.4856    0.1789    1.9680 H   0  0  0  0  0
    0.5768   -0.1264    0.2257 H   0  0  0  0  0
    0.5123    1.5384    0.8328 H   0  0  0  0  0
    2.7967   -0.4447    1.3312 H   0  0  0  0  0
    2.7354    1.2015    1.9505 H   0  0  0  0  0
    2.6300    2.0570   -0.4408 H   0  0  0  0  0
    2.7564    0.4089   -1.0125 H   0  0  0  0  0
    3.9064    3.7440   -0.3938 H   0  0  0  0  0
    5.5673    4.2910   -0.3561 H   0  0  0  0  0
    6.8648    4.0315    1.9596 H   0  0  0  0  0
    6.6956    4.3622    4.3527 H   0  0  0  0  0
    2.3981    4.4323    4.0409 H   0  0  0  0  0
    2.5662    4.0099    1.6401 H   0  0  0  0  0
    5.8313    6.2399    5.8626 H   0  0  0  0  0
    5.9191    6.5258    8.2962 H   0  0  0  0  0
    4.5940    5.0372    9.7758 H   0  0  0  0  0
    3.1941    3.2666    8.8035 H   0  0  0  0  0
    0.5395    0.6549    6.2235 H   0  0  0  0  0
    7.8616    3.6440   -0.2485 H   0  0  0  0  0
    9.9297   -0.1453   -0.0937 H   0  0  0  0  0
    7.7569   -1.3483   -0.1241 H   0  0  0  0  0
   14.1691    1.8698   -1.4232 H   0  0  0  0  0
   15.7533    3.6987   -0.8075 H   0  0  0  0  0
   14.9625    5.6537    0.4810 H   0  0  0  0  0
   12.5894    5.8253    1.2016 H   0  0  0  0  0
   10.5214    5.0664    2.0555 H   0  0  0  0  0
    9.2786    3.8091    2.0025 H   0  0  0  0  0
    9.2900    5.1255    0.7673 H   0  0  0  0  0
  1  2  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  2  3  1  0  0  0
  2 44  1  0  0  0
  2 45  1  0  0  0
  3  4  1  0  0  0
  3 46  1  0  0  0
  3 47  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6 30  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 48  1  0  0  0
  9 49  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
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 12 13  2  0  0  0
 12 51  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 52  1  0  0  0
 15 53  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 54  1  0  0  0
 18 19  2  0  0  0
 18 55  1  0  0  0
 19 20  1  0  0  0
 19 56  1  0  0  0
 20 21  2  0  0  0
 20 57  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 26  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 58  1  0  0  0
 25 26  2  0  0  0
 27 28  2  0  0  0
 27 59  1  0  0  0
 28 29  1  0  0  0
 28 31  1  0  0  0
 29 30  2  0  0  0
 29 60  1  0  0  0
 30 61  1  0  0  0
 31 39  1  0  0  0
 31 32  2  0  0  0
 32 33  1  0  0  0
 33 38  1  0  0  0
 33 34  2  0  0  0
 34 35  1  0  0  0
 34 62  1  0  0  0
 35 36  2  0  0  0
 35 63  1  0  0  0
 36 37  1  0  0  0
 36 64  1  0  0  0
 37 38  2  0  0  0
 37 65  1  0  0  0
 38 39  1  0  0  0
 39 40  1  0  0  0
 40 66  1  0  0  0
 40 67  1  0  0  0
 40 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL337232

>  <PubChem CID>
10481936

>  <Formula>
C32H28N8

>  <Molecular Weight>
524.632000

>  <IUPAC Name>
6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C=C(C=C2)C6=NC7=CC=CC=C7N6C

>  <Isomeric SMILES>
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C=C(C=C2)C6=NC7=CC=CC=C7N6C

>  <InChI Std. ID>
InChI=1S/C32H28N8/c1-3-8-30-33-27-18-17-23(32-34-26-11-6-7-12-28(26)39(32)2)19-29(27)40(30)20-21-13-15-22(16-14-21)24-9-4-5-10-25(24)31-35-37-38-36-31/h4-7,9-19H,3,8,20H2,1-2H3,(H,35,36,37,38)

>  <InChI Key>
CFMSUUJPNFRBBQ-UHFFFAOYSA-N

