
 CHEMBL77563

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.9083    1.3336   -0.0503 C   0  0  0  0  0
    0.2901    1.3410   -1.4754 C   0  0  0  0  0
    0.9576    0.3552   -2.3608 N   0  0  0  0  0
    1.1300   -0.9829   -1.7557 C   0  0  0  0  0
    1.7398   -0.8808   -0.3423 C   0  0  0  0  0
    0.9985   -0.0025    0.6016 N   0  0  0  0  0
   -0.3678   -0.4913    0.8973 C   0  0  0  0  0
   -0.4135   -1.8276    1.5647 C   0  0  0  0  0
   -1.3201   -2.7662    1.3742 N   0  0  0  0  0
   -0.9376   -3.8138    2.1744 C   0  0  0  0  0
   -1.5395   -5.0673    2.3560 C   0  0  0  0  0
   -0.9269   -5.9857    3.2178 C   0  0  0  0  0
    0.2584   -5.6614    3.8826 C   0  0  0  0  0
    0.8665   -4.4101    3.7229 C   0  0  0  0  0
    0.2312   -3.5116    2.8636 C   0  0  0  0  0
    0.5245   -2.2290    2.4836 N   0  0  0  0  0
    0.4398    0.3885   -3.6797 C   0  0  0  0  0
   -0.4294   -0.6121   -4.1594 C   0  0  0  0  0
   -0.9683   -0.5700   -5.4502 C   0  0  0  0  0
   -0.6569    0.4808   -6.3025 C   0  0  0  0  0
    0.2064    1.4823   -5.8679 C   0  0  0  0  0
    0.7556    1.4360   -4.5782 C   0  0  0  0  0
    1.8868    2.6876   -4.1709 Cl  0  0  0  0  0
    1.9239    1.7480   -0.1080 H   0  0  0  0  0
    0.3473    2.0223    0.5937 H   0  0  0  0  0
    0.3860    2.3590   -1.8672 H   0  0  0  0  0
   -0.7841    1.1253   -1.4186 H   0  0  0  0  0
    0.1779   -1.5175   -1.6755 H   0  0  0  0  0
    1.8037   -1.5819   -2.3812 H   0  0  0  0  0
    1.8558   -1.8873    0.0746 H   0  0  0  0  0
    2.7634   -0.4906   -0.4276 H   0  0  0  0  0
   -0.9954   -0.5425    0.0007 H   0  0  0  0  0
   -0.8549    0.2200    1.5768 H   0  0  0  0  0
   -2.4565   -5.3112    1.8316 H   0  0  0  0  0
   -1.3807   -6.9624    3.3660 H   0  0  0  0  0
    0.7178   -6.3964    4.5407 H   0  0  0  0  0
    1.7844   -4.1592    4.2418 H   0  0  0  0  0
    1.3206   -1.6753    2.7672 H   0  0  0  0  0
   -0.7305   -1.4465   -3.5333 H   0  0  0  0  0
   -1.6367   -1.3617   -5.7805 H   0  0  0  0  0
   -1.0783    0.5157   -7.3034 H   0  0  0  0  0
    0.4605    2.2966   -6.5414 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>
CHEMBL77563

>  <PubChem CID>
9945233

>  <Formula>
C18H19ClN4

>  <Molecular Weight>
326.828000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=C4Cl

>  <Isomeric SMILES>
C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=C4Cl

>  <InChI Std. ID>
InChI=1S/C18H19ClN4/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>
ATPCXZFSRSVMMW-UHFFFAOYSA-N

