
 CHEMBL325603

 51 54  0  0  0  0  0  0  0  0999 V2000
    1.6139    8.6268   -5.9795 C   0  0  0  0  0
    1.1584    8.0693   -4.6414 C   0  0  0  0  0
    1.9631    6.9502   -4.2214 N   0  0  0  0  0
    1.7454    5.6082   -4.5489 C   0  0  0  0  0
    0.7235    5.0341   -5.2797 C   0  0  0  0  0
    0.7511    3.6470   -5.4444 C   0  0  0  0  0
    1.7868    2.8762   -4.8856 C   0  0  0  0  0
    2.8163    3.4774   -4.1526 C   0  0  0  0  0
    2.7796    4.8506   -3.9930 C   0  0  0  0  0
    3.6683    5.7260   -3.3247 N   0  0  0  0  0
    3.1519    7.0510   -3.4743 C   0  0  0  0  0
    3.6436    8.0837   -3.0357 O   0  0  0  0  0
    4.8162    5.3327   -2.6419 C   0  0  0  0  0
    5.1733    4.1659   -2.4867 O   0  0  0  0  0
    5.5568    6.3795   -2.1329 N   0  0  0  0  0
    6.7668    6.2060   -1.3411 C   0  0  0  0  0
    7.9513    5.6497   -2.1500 C   0  0  0  0  0
    8.9567    6.6860   -2.6825 C   0  0  0  0  0
    8.4832    7.4258   -3.9453 C   0  0  0  0  0
    7.4022    8.4734   -3.7013 C   0  0  0  0  0
    7.5915    9.2386   -2.3932 C   0  0  0  0  0
    8.1451    8.4077   -1.2193 C   0  0  0  0  0
    7.1099    7.4806   -0.5591 C   0  0  0  0  0
    9.3379    7.6904   -1.6829 N   0  0  0  0  0
   10.1571    7.1529   -0.6022 C   0  0  0  0  0
    1.0001    9.4875   -6.2625 H   0  0  0  0  0
    1.5330    7.8735   -6.7702 H   0  0  0  0  0
    2.6591    8.9519   -5.9346 H   0  0  0  0  0
    0.1054    7.7721   -4.6826 H   0  0  0  0  0
    1.2454    8.8559   -3.8831 H   0  0  0  0  0
   -0.0768    5.6221   -5.7126 H   0  0  0  0  0
   -0.0370    3.1541   -6.0101 H   0  0  0  0  0
    1.7887    1.7968   -5.0257 H   0  0  0  0  0
    3.6092    2.8676   -3.7324 H   0  0  0  0  0
    5.1355    7.3046   -2.1901 H   0  0  0  0  0
    6.4918    5.4381   -0.6047 H   0  0  0  0  0
    7.6077    5.0169   -2.9771 H   0  0  0  0  0
    8.5048    4.9750   -1.4817 H   0  0  0  0  0
    9.8556    6.1331   -2.9883 H   0  0  0  0  0
    9.3503    7.9363   -4.3875 H   0  0  0  0  0
    8.1377    6.7100   -4.7012 H   0  0  0  0  0
    7.3884    9.1835   -4.5379 H   0  0  0  0  0
    6.4206    8.0010   -3.7287 H   0  0  0  0  0
    8.3000   10.0555   -2.5893 H   0  0  0  0  0
    6.6483    9.7205   -2.1093 H   0  0  0  0  0
    8.4482    9.1405   -0.4583 H   0  0  0  0  0
    7.5172    7.1682    0.4123 H   0  0  0  0  0
    6.2014    8.0478   -0.3192 H   0  0  0  0  0
   10.4721    7.9570    0.0727 H   0  0  0  0  0
   11.0752    6.7111   -1.0056 H   0  0  0  0  0
    9.6500    6.3891   -0.0049 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3 11  1  0  0  0
  3  4  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 23  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 24  1  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 24  1  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 24 25  1  0  0  0
 25 49  1  0  0  0
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 25 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL325603

>  <PubChem CID>
19426720

>  <Formula>
C19H26N4O2

>  <Molecular Weight>
342.443000

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

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN1C2=CC=CC=C2N(C1=O)C(=O)NC3CC4CCCC(C3)N4C

>  <Isomeric SMILES>
CCN1C2=CC=CC=C2N(C1=O)C(=O)NC3CC4CCCC(C3)N4C

>  <InChI Std. ID>
InChI=1S/C19H26N4O2/c1-3-22-16-9-4-5-10-17(16)23(19(22)25)18(24)20-13-11-14-7-6-8-15(12-13)21(14)2/h4-5,9-10,13-15H,3,6-8,11-12H2,1-2H3,(H,20,24)

>  <InChI Key>
UEYRRMVOMQCUML-UHFFFAOYSA-N

