
 CHEMBL324057

 54 57  0  0  0  0  0  0  0  0999 V2000
    2.8350    2.0890    3.1105 C   0  0  0  0  0
    2.7384    1.3064    1.7995 C   0  0  0  0  0
    1.6656    1.9023    0.8874 C   0  0  0  0  0
    4.0283    1.2334    1.1316 N   0  0  0  0  0
    4.7584    0.0639    0.8769 C   0  0  0  0  0
    4.4440   -1.2550    1.1471 C   0  0  0  0  0
    5.3727   -2.2315    0.7773 C   0  0  0  0  0
    6.5824   -1.8754    0.1563 C   0  0  0  0  0
    6.8859   -0.5358   -0.1112 C   0  0  0  0  0
    5.9584    0.4239    0.2536 C   0  0  0  0  0
    5.9885    1.8301    0.1131 N   0  0  0  0  0
    4.7684    2.3366    0.6559 C   0  0  0  0  0
    4.4235    3.5119    0.6927 O   0  0  0  0  0
    7.0285    2.5635   -0.4555 C   0  0  0  0  0
    8.0408    2.0736   -0.9548 O   0  0  0  0  0
    6.8423    3.9288   -0.4087 N   0  0  0  0  0
    7.7638    4.9115   -0.9602 C   0  0  0  0  0
    7.0843    6.2788   -1.1083 C   0  0  0  0  0
    7.2658    7.2389    0.0810 C   0  0  0  0  0
    6.4284    6.8808    1.3246 C   0  0  0  0  0
    6.9706    5.7346    2.1790 C   0  0  0  0  0
    8.4936    5.6625    2.2134 C   0  0  0  0  0
    9.1901    6.0611    0.9016 C   0  0  0  0  0
    9.1017    4.9959   -0.2078 C   0  0  0  0  0
    8.6653    7.3709    0.4983 N   0  0  0  0  0
    9.5063    8.0680   -0.4667 C   0  0  0  0  0
    3.5981    1.6541    3.7651 H   0  0  0  0  0
    1.8795    2.0690    3.6452 H   0  0  0  0  0
    3.1016    3.1376    2.9427 H   0  0  0  0  0
    2.4163    0.2915    2.0537 H   0  0  0  0  0
    1.8767    2.9459    0.6333 H   0  0  0  0  0
    0.6845    1.8700    1.3730 H   0  0  0  0  0
    1.5983    1.3391   -0.0496 H   0  0  0  0  0
    3.5163   -1.5459    1.6238 H   0  0  0  0  0
    5.1584   -3.2806    0.9718 H   0  0  0  0  0
    7.2924   -2.6523   -0.1209 H   0  0  0  0  0
    7.8249   -0.2791   -0.5898 H   0  0  0  0  0
    5.9228    4.2445   -0.1071 H   0  0  0  0  0
    7.9807    4.5371   -1.9700 H   0  0  0  0  0
    6.0159    6.1602   -1.3305 H   0  0  0  0  0
    7.5112    6.7633   -1.9970 H   0  0  0  0  0
    6.8999    8.2222   -0.2462 H   0  0  0  0  0
    6.3859    7.7729    1.9654 H   0  0  0  0  0
    5.3911    6.6683    1.0390 H   0  0  0  0  0
    6.5894    5.8370    3.2029 H   0  0  0  0  0
    6.5689    4.7810    1.8386 H   0  0  0  0  0
    8.8416    6.3424    3.0035 H   0  0  0  0  0
    8.8074    4.6580    2.5222 H   0  0  0  0  0
   10.2536    6.1693    1.1567 H   0  0  0  0  0
    9.8711    5.2424   -0.9532 H   0  0  0  0  0
    9.3930    4.0200    0.1976 H   0  0  0  0  0
   10.5108    8.2177   -0.0554 H   0  0  0  0  0
    9.1045    9.0676   -0.6675 H   0  0  0  0  0
    9.6061    7.5433   -1.4213 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  9 10  2  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 24  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 25  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 23 24  1  0  0  0
 23 25  1  0  0  0
 23 49  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
 25 26  1  0  0  0
 26 52  1  0  0  0
 26 53  1  0  0  0
 26 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL324057

>  <PubChem CID>
44343153

>  <Formula>
C20H28N4O2

>  <Molecular Weight>
356.470000

>  <IUPAC Name>
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NC3CC4CCCC(C3)N4C

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NC3CC4CCCC(C3)N4C

>  <InChI Std. ID>
InChI=1S/C20H28N4O2/c1-13(2)23-17-9-4-5-10-18(17)24(20(23)26)19(25)21-14-11-15-7-6-8-16(12-14)22(15)3/h4-5,9-10,13-16H,6-8,11-12H2,1-3H3,(H,21,25)

>  <InChI Key>
AJHCSFKCWMDCCD-UHFFFAOYSA-N

