
 CHEMBL491198

 60 64  0  0  0  0  0  0  0  0999 V2000
   -1.7076    6.0019    6.6165 C   0  0  0  0  0
   -2.4594    7.3295    6.4626 C   0  0  0  0  0
   -1.8110    8.0635    5.3353 N   0  0  0  0  0
   -0.7133    7.3816    5.0997 C   0  0  0  0  0
   -0.4887    6.2948    5.9125 N   0  0  0  0  0
    0.2234    7.7284    3.9958 C   0  0  0  0  0
    1.0872    6.7468    3.6262 N   0  0  0  0  0
    1.9340    7.0439    2.6055 C   0  0  0  0  0
    1.9691    8.2738    1.9484 C   0  0  0  0  0
    1.0687    9.2557    2.3736 C   0  0  0  0  0
    0.1732    8.9808    3.4043 C   0  0  0  0  0
    2.8457    8.6140    0.8984 N   0  0  0  0  0
    3.7518    7.7791    0.2645 C   0  0  0  0  0
    3.9048    6.5854    0.4866 O   0  0  0  0  0
    4.5519    8.5300   -0.7828 C   0  0  0  0  0
    5.5256    7.6204   -1.5151 C   0  0  0  0  0
    6.3136    8.3677   -2.4729 N   0  0  0  0  0
    7.5970    8.8102   -2.2249 C   0  0  0  0  0
    8.1640    8.6214   -1.1514 O   0  0  0  0  0
    8.1979    9.4697   -3.3751 C   0  0  0  0  0
    7.4671    9.8983   -4.3974 N   0  0  0  0  0
    8.3610   10.3696   -5.3231 C   0  0  0  0  0
    8.1209   10.9417   -6.5819 C   0  0  0  0  0
    9.2130   11.2988   -7.3819 C   0  0  0  0  0
   10.5183   11.0758   -6.9447 C   0  0  0  0  0
   10.7753   10.5137   -5.6900 C   0  0  0  0  0
    9.6701   10.1946   -4.8882 C   0  0  0  0  0
    9.5398    9.6910   -3.6086 N   0  0  0  0  0
   10.6445    9.3242   -2.7322 C   0  0  0  0  0
   11.0790   10.4516   -1.8243 C   0  0  0  0  0
   10.9638   10.3213   -0.4323 C   0  0  0  0  0
   11.4212   11.3303    0.4198 C   0  0  0  0  0
   11.9961   12.4846   -0.1063 C   0  0  0  0  0
   12.1102   12.6335   -1.4848 C   0  0  0  0  0
   11.6577   11.6239   -2.3365 C   0  0  0  0  0
   -1.5326    5.7460    7.6649 H   0  0  0  0  0
   -2.2467    5.1853    6.1260 H   0  0  0  0  0
   -2.3837    7.9377    7.3705 H   0  0  0  0  0
   -3.5185    7.1589    6.2447 H   0  0  0  0  0
    0.0493    5.5418    5.4920 H   0  0  0  0  0
    2.5997    6.2282    2.3441 H   0  0  0  0  0
    1.0442   10.2374    1.9091 H   0  0  0  0  0
   -0.5391    9.7255    3.7432 H   0  0  0  0  0
    2.7886    9.5671    0.5592 H   0  0  0  0  0
    5.0949    9.3436   -0.2879 H   0  0  0  0  0
    3.8546    8.9787   -1.5014 H   0  0  0  0  0
    4.9864    6.8482   -2.0746 H   0  0  0  0  0
    6.1926    7.1148   -0.8088 H   0  0  0  0  0
    5.9435    8.5896   -3.3941 H   0  0  0  0  0
    7.1041   11.0969   -6.9246 H   0  0  0  0  0
    9.0397   11.7455   -8.3581 H   0  0  0  0  0
   11.3531   11.3468   -7.5883 H   0  0  0  0  0
   11.7950   10.3455   -5.3606 H   0  0  0  0  0
   11.4891    9.0139   -3.3588 H   0  0  0  0  0
   10.3575    8.4320   -2.1678 H   0  0  0  0  0
   10.5176    9.4286    0.0039 H   0  0  0  0  0
   11.3303   11.2123    1.4966 H   0  0  0  0  0
   12.3543   13.2675    0.5567 H   0  0  0  0  0
   12.5555   13.5338   -1.9006 H   0  0  0  0  0
   11.7706   11.7704   -3.4062 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 40  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 42  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 18  1  0  0  0
 17 49  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 28  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 22 27  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 23 50  1  0  0  0
 24 25  2  0  0  0
 24 51  1  0  0  0
 25 26  1  0  0  0
 25 52  1  0  0  0
 26 27  2  0  0  0
 26 53  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 29 54  1  0  0  0
 29 55  1  0  0  0
 30 31  2  0  0  0
 30 35  1  0  0  0
 31 32  1  0  0  0
 31 56  1  0  0  0
 32 33  2  0  0  0
 32 57  1  0  0  0
 33 34  1  0  0  0
 33 58  1  0  0  0
 34 35  2  0  0  0
 34 59  1  0  0  0
 35 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL491198

>  <PubChem CID>
25105469

>  <Formula>
C26H25N7O2

>  <Molecular Weight>
467.533000

>  <IUPAC Name>
1-benzyl-N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)pyridin-3-yl]amino]-3-oxopropyl]benzimidazole-2-carboxamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN=C(N1)C2=NC=C(C=C2)NC(=O)CCNC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <Isomeric SMILES>
C1CN=C(N1)C2=NC=C(C=C2)NC(=O)CCNC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C26H25N7O2/c34-23(31-19-10-11-21(30-16-19)24-27-14-15-28-24)12-13-29-26(35)25-32-20-8-4-5-9-22(20)33(25)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,28)(H,29,35)(H,31,34)

>  <InChI Key>
DNIPCQILANYFNK-UHFFFAOYSA-N

