
 CHEMBL147827

 40 43  0  0  0  0  0  0  0  0999 V2000
   -2.3149    3.5002    0.1392 C   0  0  0  0  0
   -1.7763    2.9462   -1.0885 N   0  0  0  0  0
   -1.4331    1.5209   -1.0601 C   0  0  0  0  0
   -0.9062    1.3486   -2.4899 C   0  0  0  0  0
   -0.3286    2.7220   -2.8542 C   0  0  0  0  0
   -0.5581    3.5802   -1.6040 C   0  0  0  0  0
    0.6136    3.4907   -0.6072 C   0  0  0  0  0
    0.9077    2.0574   -0.1331 C   0  0  0  0  0
   -0.3588    1.1946   -0.0055 C   0  0  0  0  0
    1.8205    1.4771   -1.0877 O   0  0  0  0  0
    2.6088    0.4666   -0.6621 C   0  0  0  0  0
    2.5585   -0.0830    0.4271 O   0  0  0  0  0
    3.5027    0.0295   -1.7455 C   0  0  0  0  0
    3.8843   -1.3240   -1.7978 C   0  0  0  0  0
    4.7137   -1.7829   -2.8192 C   0  0  0  0  0
    5.2013   -0.9262   -3.8116 C   0  0  0  0  0
    4.8246    0.4171   -3.7240 C   0  0  0  0  0
    3.9939    0.9192   -2.7213 C   0  0  0  0  0
    3.8271    2.2782   -2.8890 N   0  0  0  0  0
    4.5109    2.5948   -3.9626 C   0  0  0  0  0
    5.1273    1.5064   -4.5037 N   0  0  0  0  0
    5.1491   -3.4493   -2.8695 Cl  0  0  0  0  0
   -3.2402    2.9808    0.4112 H   0  0  0  0  0
   -2.5773    4.5535   -0.0087 H   0  0  0  0  0
   -1.6371    3.4431    0.9956 H   0  0  0  0  0
   -2.3172    0.8938   -0.9002 H   0  0  0  0  0
   -1.7294    1.1107   -3.1752 H   0  0  0  0  0
   -0.1645    0.5490   -2.5816 H   0  0  0  0  0
    0.7227    2.6655   -3.1520 H   0  0  0  0  0
   -0.8870    3.1309   -3.7059 H   0  0  0  0  0
   -0.7316    4.6247   -1.8851 H   0  0  0  0  0
    1.5098    3.9198   -1.0732 H   0  0  0  0  0
    0.3875    4.1151    0.2653 H   0  0  0  0  0
    1.4211    2.1143    0.8350 H   0  0  0  0  0
   -0.1070    0.1301   -0.0802 H   0  0  0  0  0
   -0.7861    1.3424    0.9935 H   0  0  0  0  0
    3.5198   -2.0144   -1.0391 H   0  0  0  0  0
    5.8471   -1.2879   -4.6051 H   0  0  0  0  0
    4.5974    3.5877   -4.3877 H   0  0  0  0  0
    5.7110    1.5063   -5.3284 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  9  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 34  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 15 22  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
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 17 21  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
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 20 39  1  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL147827

>  <PubChem CID>
44364334

>  <Formula>
C16H18ClN3O2

>  <Molecular Weight>
319.789000

>  <IUPAC Name>
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-chloro-1H-benzimidazole-4-carboxylate

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC4=C3N=CN4)Cl

>  <Isomeric SMILES>
CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC4=C3N=CN4)Cl

>  <InChI Std. ID>
InChI=1S/C16H18ClN3O2/c1-20-10-2-3-11(20)7-12(6-10)22-16(21)13-4-9(17)5-14-15(13)19-8-18-14/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,18,19)

>  <InChI Key>
FIPCEHZBLRYIJE-UHFFFAOYSA-N

