
 CHEMBL489389

 62 66  0  0  0  0  0  0  0  0999 V2000
    1.1763    2.2425   -1.8805 C   0  0  0  0  0
    2.5984    1.9356   -1.8247 N   0  0  0  0  0
    3.2006    1.3418   -3.0177 C   0  0  0  0  0
    3.1632    2.2625   -4.2198 C   0  0  0  0  0
    4.1234    3.2665   -4.3967 C   0  0  0  0  0
    4.0697    4.1240   -5.5033 C   0  0  0  0  0
    3.0534    3.9853   -6.4592 C   0  0  0  0  0
    2.0891    2.9845   -6.2843 C   0  0  0  0  0
    2.1427    2.1382   -5.1716 C   0  0  0  0  0
    2.9996    4.8426   -7.5952 N   0  0  0  0  0
    2.2587    4.6622   -8.7432 C   0  0  0  0  0
    2.5500    5.7306   -9.5583 C   0  0  0  0  0
    3.4313    6.5770   -8.9508 N   0  0  0  0  0
    3.6806    6.0264   -7.7822 C   0  0  0  0  0
    3.3107    2.4369   -0.7354 C   0  0  0  0  0
    2.7754    3.1420    0.1270 O   0  0  0  0  0
    4.7853    2.0358   -0.6092 C   0  0  0  0  0
    5.4433    2.7290    0.4781 N   0  0  0  0  0
    6.6558    2.3130    0.9689 C   0  0  0  0  0
    7.1072    1.2024    0.7029 O   0  0  0  0  0
    7.3435    3.3199    1.7632 C   0  0  0  0  0
    6.7292    4.4116    2.2001 N   0  0  0  0  0
    7.6750    5.1255    2.8866 C   0  0  0  0  0
    7.5456    6.3466    3.5660 C   0  0  0  0  0
    8.6713    6.8973    4.1890 C   0  0  0  0  0
    9.9014    6.2428    4.1399 C   0  0  0  0  0
   10.0466    5.0187    3.4763 C   0  0  0  0  0
    8.9105    4.4833    2.8550 C   0  0  0  0  0
    8.6786    3.3383    2.1173 N   0  0  0  0  0
    9.6780    2.3316    1.7848 C   0  0  0  0  0
   10.3344    2.5938    0.4483 C   0  0  0  0  0
    9.8311    2.0203   -0.7295 C   0  0  0  0  0
   10.4238    2.2798   -1.9669 C   0  0  0  0  0
   11.5414    3.1049   -2.0424 C   0  0  0  0  0
   12.0647    3.6705   -0.8829 C   0  0  0  0  0
   11.4634    3.4206    0.3536 C   0  0  0  0  0
    0.7472    2.2849   -0.8745 H   0  0  0  0  0
    0.6524    1.4631   -2.4429 H   0  0  0  0  0
    1.0387    3.2129   -2.3642 H   0  0  0  0  0
    2.6528    0.4170   -3.2353 H   0  0  0  0  0
    4.2334    1.0333   -2.8365 H   0  0  0  0  0
    4.9307    3.3921   -3.6779 H   0  0  0  0  0
    4.8544    4.8683   -5.6024 H   0  0  0  0  0
    1.2610    2.8560   -6.9772 H   0  0  0  0  0
    1.3687    1.3825   -5.0510 H   0  0  0  0  0
    1.6322    3.8011   -8.9134 H   0  0  0  0  0
    2.1742    5.9276  -10.5547 H   0  0  0  0  0
    4.3233    6.4638   -7.0305 H   0  0  0  0  0
    5.3285    2.3128   -1.5146 H   0  0  0  0  0
    4.8540    0.9564   -0.4491 H   0  0  0  0  0
    5.1197    3.6552    0.7536 H   0  0  0  0  0
    6.5848    6.8488    3.6013 H   0  0  0  0  0
    8.5823    7.8452    4.7149 H   0  0  0  0  0
   10.7650    6.6916    4.6270 H   0  0  0  0  0
   11.0082    4.5189    3.4502 H   0  0  0  0  0
    9.2150    1.3415    1.8229 H   0  0  0  0  0
   10.4323    2.3282    2.5812 H   0  0  0  0  0
    8.9742    1.3530   -0.7025 H   0  0  0  0  0
   10.0134    1.8323   -2.8673 H   0  0  0  0  0
   12.0063    3.3029   -3.0047 H   0  0  0  0  0
   12.9416    4.3093   -0.9402 H   0  0  0  0  0
   11.8925    3.8766    1.2423 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2 15  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  6  7  2  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 44  1  0  0  0
  9 45  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 12  2  0  0  0
 11 46  1  0  0  0
 12 13  1  0  0  0
 12 47  1  0  0  0
 13 14  2  0  0  0
 14 48  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
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 18 19  1  0  0  0
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 19 21  1  0  0  0
 19 20  2  0  0  0
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 23 28  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
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 26 27  1  0  0  0
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 29 30  1  0  0  0
 30 31  1  0  0  0
 30 56  1  0  0  0
 30 57  1  0  0  0
 31 32  2  0  0  0
 31 36  1  0  0  0
 32 33  1  0  0  0
 32 58  1  0  0  0
 33 34  2  0  0  0
 33 59  1  0  0  0
 34 35  1  0  0  0
 34 60  1  0  0  0
 35 36  2  0  0  0
 35 61  1  0  0  0
 36 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL489389

>  <PubChem CID>
44579945

>  <Formula>
C28H26N6O2

>  <Molecular Weight>
478.556000

>  <IUPAC Name>
1-benzyl-N-[2-[(4-imidazol-1-ylphenyl)methyl-methylamino]-2-oxoethyl]benzimidazole-2-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC1=CC=C(C=C1)N2C=CN=C2)C(=O)CNC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <Isomeric SMILES>
CN(CC1=CC=C(C=C1)N2C=CN=C2)C(=O)CNC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H26N6O2/c1-32(18-22-11-13-23(14-12-22)33-16-15-29-20-33)26(35)17-30-28(36)27-31-24-9-5-6-10-25(24)34(27)19-21-7-3-2-4-8-21/h2-16,20H,17-19H2,1H3,(H,30,36)

>  <InChI Key>
DEDFYZJNHSWMDS-UHFFFAOYSA-N

