
 CHEMBL480619

 55 58  0  0  0  0  0  0  0  0999 V2000
    1.3369   -1.1489   -0.4680 C   0  0  0  0  0
    2.6912   -0.6388   -1.0696 C   0  0  0  0  0
    2.9219   -1.5239   -2.3436 C   0  0  0  0  0
    4.0167   -1.2212   -3.3740 C   0  0  0  0  0
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    5.6750    0.6897   -2.9702 C   0  0  0  0  0
    4.8750    1.5757   -2.0180 C   0  0  0  0  0
    3.3907    1.6611   -2.3491 C   0  0  0  0  0
    2.4016    0.8380   -1.5151 C   0  0  0  0  0
    3.7829   -0.7492   -0.0316 N   0  0  0  0  0
    4.1477   -2.1357    0.3240 C   0  0  0  0  0
    5.3340   -2.2326    1.2929 C   0  0  0  0  0
    5.2532   -1.3056    2.5114 C   0  0  0  0  0
    4.7383    0.0770    2.1158 C   0  0  0  0  0
    3.5118    0.0103    1.2075 C   0  0  0  0  0
    4.5608   -1.8417    3.6827 N   0  0  0  0  0
    3.4198   -2.5930    3.7077 C   0  0  0  0  0
    3.0484   -2.8957    4.9320 N   0  0  0  0  0
    3.9827   -2.3119    5.7462 C   0  0  0  0  0
    4.0639   -2.3094    7.1491 C   0  0  0  0  0
    5.1227   -1.6294    7.7648 C   0  0  0  0  0
    6.0790   -0.9647    6.9970 C   0  0  0  0  0
    6.0150   -0.9544    5.5958 C   0  0  0  0  0
    4.9483   -1.6430    4.9973 C   0  0  0  0  0
    0.5335   -1.0969   -1.2137 H   0  0  0  0  0
    1.0040   -0.5422    0.3801 H   0  0  0  0  0
    1.3920   -2.1930   -0.1454 H   0  0  0  0  0
    1.9837   -1.5296   -2.9195 H   0  0  0  0  0
    3.0296   -2.5736   -2.0428 H   0  0  0  0  0
    4.1435   -2.1460   -3.9553 H   0  0  0  0  0
    3.6422   -0.5030   -4.1119 H   0  0  0  0  0
    5.6141   -1.1833   -1.8786 H   0  0  0  0  0
    6.1333   -1.2954   -3.5345 H   0  0  0  0  0
    6.7412    0.8473   -2.7616 H   0  0  0  0  0
    5.5228    1.0290   -4.0037 H   0  0  0  0  0
    5.0552    1.3017   -0.9769 H   0  0  0  0  0
    5.2887    2.5881   -2.1258 H   0  0  0  0  0
    3.0898    2.7111   -2.2212 H   0  0  0  0  0
    3.2221    1.4735   -3.4153 H   0  0  0  0  0
    2.1375    1.4406   -0.6380 H   0  0  0  0  0
    1.4679    0.8329   -2.0980 H   0  0  0  0  0
    4.4558   -2.6946   -0.5642 H   0  0  0  0  0
    3.2933   -2.6720    0.7431 H   0  0  0  0  0
    5.4681   -3.2750    1.6068 H   0  0  0  0  0
    6.2390   -1.9639    0.7304 H   0  0  0  0  0
    6.2903   -1.1818    2.8517 H   0  0  0  0  0
    4.5000    0.6739    3.0050 H   0  0  0  0  0
    5.5364    0.6141    1.5868 H   0  0  0  0  0
    2.6755   -0.4231    1.7673 H   0  0  0  0  0
    3.2502    1.0479    0.9880 H   0  0  0  0  0
    2.8820   -2.8979    2.8230 H   0  0  0  0  0
    3.3130   -2.8268    7.7353 H   0  0  0  0  0
    5.1925   -1.6200    8.8485 H   0  0  0  0  0
    6.8920   -0.4420    7.4956 H   0  0  0  0  0
    6.7638   -0.4324    5.0142 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
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 23 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL480619

>  <PubChem CID>
44570675

>  <Formula>
C21H31N3

>  <Molecular Weight>
325.500000

>  <IUPAC Name>
1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1(CCCCCCC1)N2CCC(CC2)N3C=NC4=CC=CC=C43

>  <Isomeric SMILES>
CC1(CCCCCCC1)N2CCC(CC2)N3C=NC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C21H31N3/c1-21(13-7-3-2-4-8-14-21)23-15-11-18(12-16-23)24-17-22-19-9-5-6-10-20(19)24/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3

>  <InChI Key>
AGBAPGBKYWFEAF-UHFFFAOYSA-N

