
 CHEMBL126510

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.7119    1.0698   -0.3418 C   0  0  0  0  0
   -0.8423    1.0910   -0.3518 C   0  0  0  0  0
   -1.3710   -0.1457   -0.9641 N   0  0  0  0  0
   -0.8251   -1.3721   -0.3509 C   0  0  0  0  0
    0.7197   -1.3324   -0.4081 C   0  0  0  0  0
    1.3515   -0.1440    0.2304 N   0  0  0  0  0
    1.2028   -0.1590    1.6992 C   0  0  0  0  0
    1.8765   -1.3356    2.3338 C   0  0  0  0  0
    1.3264   -2.2221    3.1399 N   0  0  0  0  0
    2.3122   -3.1405    3.4035 C   0  0  0  0  0
    2.2667   -4.3015    4.1883 C   0  0  0  0  0
    3.4200   -5.0895    4.2895 C   0  0  0  0  0
    4.5937   -4.7283    3.6226 C   0  0  0  0  0
    4.6577   -3.5726    2.8341 C   0  0  0  0  0
    3.4940   -2.8055    2.7516 C   0  0  0  0  0
    3.1912   -1.6480    2.0824 N   0  0  0  0  0
   -2.7446   -0.1183   -1.2605 C   0  0  0  0  0
   -3.2040    0.7898   -2.2326 C   0  0  0  0  0
   -4.5482    0.8389   -2.6229 C   0  0  0  0  0
   -5.4753   -0.0215   -2.0443 C   0  0  0  0  0
   -5.0549   -0.9288   -1.0780 C   0  0  0  0  0
   -3.7110   -0.9755   -0.6994 C   0  0  0  0  0
   -3.3766   -1.8688    0.2453 F   0  0  0  0  0
    1.0583    1.1609   -1.3802 H   0  0  0  0  0
    1.0848    1.9657    0.1699 H   0  0  0  0  0
   -1.1575    1.9817   -0.9075 H   0  0  0  0  0
   -1.2247    1.1924    0.6716 H   0  0  0  0  0
   -1.1543   -1.4708    0.6900 H   0  0  0  0  0
   -1.1604   -2.2564   -0.9065 H   0  0  0  0  0
    1.1238   -2.2633    0.0052 H   0  0  0  0  0
    1.0258   -1.3351   -1.4634 H   0  0  0  0  0
    0.1532   -0.1379    2.0120 H   0  0  0  0  0
    1.6720    0.7428    2.1138 H   0  0  0  0  0
    1.3502   -4.5764    4.6978 H   0  0  0  0  0
    3.3974   -5.9937    4.8931 H   0  0  0  0  0
    5.4755   -5.3588    3.7167 H   0  0  0  0  0
    5.5683   -3.2953    2.3143 H   0  0  0  0  0
    3.7959   -1.1351    1.4574 H   0  0  0  0  0
   -2.4956    1.4477   -2.7313 H   0  0  0  0  0
   -4.8617    1.5417   -3.3910 H   0  0  0  0  0
   -6.5170    0.0086   -2.3504 H   0  0  0  0  0
   -5.7606   -1.6102   -0.6134 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 16  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
 21 42  1  0  0  0
 22 23  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL126510

>  <PubChem CID>
9901273

>  <Formula>
C18H19FN4

>  <Molecular Weight>
310.376000

>  <IUPAC Name>
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1H-benzimidazole

>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=C4F

>  <Isomeric SMILES>
C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C18H19FN4/c19-14-5-1-4-8-17(14)23-11-9-22(10-12-23)13-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H,20,21)

>  <InChI Key>
APKCWCBYTWWSHR-UHFFFAOYSA-N

