
 CHEMBL453934

 75 81  0  0  0  0  0  0  0  0999 V2000
    2.7211   -1.0661    1.1285 C   0  0  0  0  0
    2.3958    0.4058    0.9077 C   0  0  0  0  0
    3.0571    1.0124   -0.3308 C   0  0  0  0  0
    4.5478    1.0818   -0.2302 C   0  0  0  0  0
    5.3301    0.0249   -0.3116 N   0  0  0  0  0
    6.6169    0.4860   -0.2455 C   0  0  0  0  0
    7.8183   -0.2445   -0.2784 C   0  0  0  0  0
    9.0204    0.4895   -0.2301 C   0  0  0  0  0
    9.0502    1.8934   -0.1584 C   0  0  0  0  0
    7.8386    2.6048   -0.1511 C   0  0  0  0  0
    6.6380    1.8726   -0.1567 C   0  0  0  0  0
    5.3021    2.2298   -0.0723 N   0  0  0  0  0
    4.8075    3.5790    0.1780 C   0  0  0  0  0
    4.6835    3.8498    1.6614 C   0  0  0  0  0
    5.8156    4.1766    2.4160 C   0  0  0  0  0
    5.7401    4.3045    3.8040 C   0  0  0  0  0
    4.5267    4.1270    4.4854 C   0  0  0  0  0
    3.3791    3.8758    3.7197 C   0  0  0  0  0
    3.4564    3.7293    2.3265 C   0  0  0  0  0
    4.4966    4.1904    5.9594 C   0  0  0  0  0
    4.9638    5.3717    6.5815 C   0  0  0  0  0
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    4.5517    4.4811    8.7812 C   0  0  0  0  0
    4.0702    3.3099    8.1994 C   0  0  0  0  0
    4.0440    3.1482    6.8001 C   0  0  0  0  0
    3.5390    1.8279    6.3273 C   0  0  0  0  0
    2.5631    1.2231    6.9715 N   0  0  0  0  0
    2.3671   -0.0593    6.2378 C   0  0  0  0  0
    3.0937    0.1069    4.9033 C   0  0  0  0  0
    4.0313    1.1464    5.2436 N   0  0  0  0  0
   10.3682    2.5564   -0.1384 C   0  0  0  0  0
   11.4346    2.0618   -0.7471 N   0  0  0  0  0
   12.4671    2.9245   -0.4999 C   0  0  0  0  0
   13.8043    2.8559   -0.9178 C   0  0  0  0  0
   14.6841    3.8742   -0.5334 C   0  0  0  0  0
   14.2392    4.9404    0.2486 C   0  0  0  0  0
   12.9087    5.0202    0.6789 C   0  0  0  0  0
   12.0462    3.9867    0.2883 C   0  0  0  0  0
   10.7178    3.7135    0.5393 N   0  0  0  0  0
    9.8897    4.4768    1.4395 C   0  0  0  0  0
    7.8388   -1.7403   -0.3803 C   0  0  0  0  0
    2.0959   -1.4708    1.9304 H   0  0  0  0  0
    3.7635   -1.2040    1.4272 H   0  0  0  0  0
    2.5363   -1.6527    0.2245 H   0  0  0  0  0
    2.6741    0.9698    1.8037 H   0  0  0  0  0
    1.3080    0.5010    0.7958 H   0  0  0  0  0
    2.6251    2.0005   -0.5114 H   0  0  0  0  0
    2.7992    0.4104   -1.2116 H   0  0  0  0  0
    9.9670   -0.0519   -0.2624 H   0  0  0  0  0
    7.8209    3.6864   -0.1638 H   0  0  0  0  0
    3.8518    3.7115   -0.3364 H   0  0  0  0  0
    5.5012    4.2903   -0.2852 H   0  0  0  0  0
    6.7818    4.3066    1.9375 H   0  0  0  0  0
    6.6528    4.5158    4.3604 H   0  0  0  0  0
    2.4144    3.7530    4.2112 H   0  0  0  0  0
    2.5474    3.4968    1.7758 H   0  0  0  0  0
    5.3079    6.2060    5.9715 H   0  0  0  0  0
    5.3708    6.4324    8.4155 H   0  0  0  0  0
    4.5757    4.5787    9.8642 H   0  0  0  0  0
    3.7248    2.5024    8.8448 H   0  0  0  0  0
    2.8037   -0.8729    6.8277 H   0  0  0  0  0
    1.3023   -0.2631    6.0948 H   0  0  0  0  0
    2.4001    0.4604    4.1333 H   0  0  0  0  0
    3.5783   -0.8133    4.5659 H   0  0  0  0  0
    4.4979    1.6397    4.4926 H   0  0  0  0  0
   14.1399    2.0233   -1.5254 H   0  0  0  0  0
   15.7233    3.8306   -0.8494 H   0  0  0  0  0
   14.9399    5.7225    0.5336 H   0  0  0  0  0
   12.5754    5.8519    1.2901 H   0  0  0  0  0
   10.5151    5.0484    2.1317 H   0  0  0  0  0
    9.2657    3.7976    2.0261 H   0  0  0  0  0
    9.2802    5.1652    0.8475 H   0  0  0  0  0
    8.8540   -2.1388   -0.2891 H   0  0  0  0  0
    7.4331   -2.0544   -1.3467 H   0  0  0  0  0
    7.2332   -2.1797    0.4194 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
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  2  3  1  0  0  0
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  4  5  2  0  0  0
  4 12  1  0  0  0
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  6  7  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL453934

>  <PubChem CID>
25147556

>  <Formula>
C35H34N6

>  <Molecular Weight>
538.699000

>  <IUPAC Name>
1-[[4-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NCCN5)C6=NC7=CC=CC=C7N6C)C

>  <Isomeric SMILES>
CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NCCN5)C6=NC7=CC=CC=C7N6C)C

>  <InChI Std. ID>
InChI=1S/C35H34N6/c1-4-9-32-39-33-23(2)20-26(35-38-29-12-7-8-13-30(29)40(35)3)21-31(33)41(32)22-24-14-16-25(17-15-24)27-10-5-6-11-28(27)34-36-18-19-37-34/h5-8,10-17,20-21H,4,9,18-19,22H2,1-3H3,(H,36,37)

>  <InChI Key>
GQMRFIMBKDRSJE-UHFFFAOYSA-N

