
 CHEMBL314299

 62 65  0  0  0  0  0  0  0  0999 V2000
    1.3000    2.6005    0.9506 C   0  0  0  0  0
    2.8200    2.7819    0.8884 C   0  0  0  0  0
    3.3819    2.9573    2.2997 C   0  0  0  0  0
    3.4558    1.5812    0.1512 C   0  0  0  0  0
    4.9200    1.6307   -0.0071 N   0  0  0  0  0
    5.4404    0.3927   -0.6102 C   0  0  0  0  0
    5.1061    0.2378   -2.1012 C   0  0  0  0  0
    5.5081    1.4662   -2.9384 C   0  0  0  0  0
    5.0331    2.7544   -2.2451 C   0  0  0  0  0
    5.4127    2.7926   -0.7634 C   0  0  0  0  0
    7.0200    1.4536   -3.2215 C   0  0  0  0  0
    7.4347    2.5484   -4.0750 N   0  0  0  0  0
    8.1867    3.6013   -3.6079 C   0  0  0  0  0
    8.5398    3.7086   -2.4361 O   0  0  0  0  0
    8.5996    4.6320   -4.5884 C   0  0  0  0  0
    9.5670    5.5779   -4.2001 C   0  0  0  0  0
   10.0097    6.5474   -5.0934 C   0  0  0  0  0
    9.5085    6.6258   -6.3958 C   0  0  0  0  0
    8.5345    5.6879   -6.7660 C   0  0  0  0  0
    8.0729    4.6964   -5.8949 C   0  0  0  0  0
    7.1207    3.9137   -6.5197 N   0  0  0  0  0
    6.9885    4.4166   -7.7261 C   0  0  0  0  0
    7.8301    5.4766   -7.9294 N   0  0  0  0  0
    7.9057    6.2645   -9.1512 C   0  0  0  0  0
    8.3112    5.4392  -10.3474 C   0  0  0  0  0
    9.5077    4.7050  -10.3510 C   0  0  0  0  0
    9.8728    3.9503  -11.4670 C   0  0  0  0  0
    9.0557    3.9311  -12.5950 C   0  0  0  0  0
    7.8747    4.6695  -12.6112 C   0  0  0  0  0
    7.5046    5.4222  -11.4955 C   0  0  0  0  0
   11.2100    7.6767   -4.5917 Cl  0  0  0  0  0
    0.8804    2.4965   -0.0559 H   0  0  0  0  0
    0.8243    3.4677    1.4204 H   0  0  0  0  0
    1.0273    1.7096    1.5260 H   0  0  0  0  0
    3.0051    3.7026    0.3232 H   0  0  0  0  0
    3.2361    2.0531    2.9001 H   0  0  0  0  0
    2.8838    3.7865    2.8137 H   0  0  0  0  0
    4.4528    3.1817    2.2765 H   0  0  0  0  0
    2.9592    1.4706   -0.8197 H   0  0  0  0  0
    3.2069    0.6767    0.7233 H   0  0  0  0  0
    5.0694   -0.4802   -0.0585 H   0  0  0  0  0
    6.5295    0.3707   -0.4771 H   0  0  0  0  0
    5.5949   -0.6639   -2.4900 H   0  0  0  0  0
    4.0286    0.0678   -2.2163 H   0  0  0  0  0
    4.9967    1.4008   -3.9082 H   0  0  0  0  0
    5.4316    3.6422   -2.7475 H   0  0  0  0  0
    3.9432    2.8291   -2.3452 H   0  0  0  0  0
    6.5048    2.8326   -0.6647 H   0  0  0  0  0
    5.0659    3.7294   -0.3155 H   0  0  0  0  0
    7.2838    0.5354   -3.7589 H   0  0  0  0  0
    7.6025    1.4623   -2.2950 H   0  0  0  0  0
    7.1393    2.5618   -5.0517 H   0  0  0  0  0
    9.9782    5.5404   -3.1926 H   0  0  0  0  0
    9.8658    7.3855   -7.0826 H   0  0  0  0  0
    6.3119    4.0531   -8.4906 H   0  0  0  0  0
    8.6224    7.0802   -9.0136 H   0  0  0  0  0
    6.9153    6.7143   -9.2884 H   0  0  0  0  0
   10.1637    4.7068   -9.4822 H   0  0  0  0  0
   10.7959    3.3758  -11.4560 H   0  0  0  0  0
    9.3412    3.3422  -13.4631 H   0  0  0  0  0
    7.2414    4.6591  -13.4950 H   0  0  0  0  0
    6.5796    5.9941  -11.5337 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7  8  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  8 45  1  0  0  0
  9 10  1  0  0  0
  9 46  1  0  0  0
  9 47  1  0  0  0
 10 48  1  0  0  0
 10 49  1  0  0  0
 11 12  1  0  0  0
 11 50  1  0  0  0
 11 51  1  0  0  0
 12 13  1  0  0  0
 12 52  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 53  1  0  0  0
 17 18  2  0  0  0
 17 31  1  0  0  0
 18 19  1  0  0  0
 18 54  1  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 55  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 56  1  0  0  0
 24 57  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 58  1  0  0  0
 27 28  2  0  0  0
 27 59  1  0  0  0
 28 29  1  0  0  0
 28 60  1  0  0  0
 29 30  2  0  0  0
 29 61  1  0  0  0
 30 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL314299

>  <PubChem CID>
21588627

>  <Formula>
C25H31ClN4O

>  <Molecular Weight>
439.000000

>  <IUPAC Name>
1-benzyl-6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]benzimidazole-4-carboxamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)CN1CCC(CC1)CNC(=O)C2=CC(=CC3=C2N=CN3CC4=CC=CC=C4)Cl

>  <Isomeric SMILES>
CC(C)CN1CCC(CC1)CNC(=O)C2=CC(=CC3=C2N=CN3CC4=CC=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C25H31ClN4O/c1-18(2)15-29-10-8-19(9-11-29)14-27-25(31)22-12-21(26)13-23-24(22)28-17-30(23)16-20-6-4-3-5-7-20/h3-7,12-13,17-19H,8-11,14-16H2,1-2H3,(H,27,31)

>  <InChI Key>
CXYKHLAUAZCSIS-UHFFFAOYSA-N

