
 CHEMBL483864

 45 48  0  0  0  0  0  0  0  0999 V2000
    0.5115    1.4266   -0.3706 C   0  0  0  0  0
   -1.0369    1.3772   -0.4550 C   0  0  0  0  0
   -1.5399    0.2041   -1.2159 N   0  0  0  0  0
   -0.8286   -1.0624   -0.9378 C   0  0  0  0  0
    0.7025   -0.8773   -0.8968 C   0  0  0  0  0
    1.1796    0.1678    0.0356 N   0  0  0  0  0
    0.9127   -0.1334    1.4581 C   0  0  0  0  0
    1.6143   -1.4111    1.9590 C   0  0  0  0  0
    1.4043   -1.7065    3.4319 C   0  0  0  0  0
    2.5247   -1.9238    4.2595 C   0  0  0  0  0
    2.2919   -2.2922    5.5902 C   0  0  0  0  0
    1.0177   -2.4449    6.1329 C   0  0  0  0  0
   -0.0794   -2.2102    5.2904 C   0  0  0  0  0
    0.1092   -1.8545    3.9525 C   0  0  0  0  0
   -1.6332   -2.4149    5.9700 Cl  0  0  0  0  0
    1.1025   -2.8261    7.4563 N   0  0  0  0  0
    2.3860   -2.9135    7.7150 C   0  0  0  0  0
    3.1434   -2.5947    6.6239 N   0  0  0  0  0
   -2.9428    0.1331   -1.3630 C   0  0  0  0  0
   -3.6582   -1.0777   -1.2964 C   0  0  0  0  0
   -5.0508   -1.1335   -1.4479 C   0  0  0  0  0
   -5.7738    0.0265   -1.6884 C   0  0  0  0  0
   -5.0996    1.2358   -1.7909 C   0  0  0  0  0
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    1.2841    0.7056    2.0610 H   0  0  0  0  0
    2.6890   -1.3279    1.7481 H   0  0  0  0  0
    1.2564   -2.2926    1.4137 H   0  0  0  0  0
    3.5367   -1.8327    3.8738 H   0  0  0  0  0
   -0.7634   -1.7168    3.3195 H   0  0  0  0  0
    2.8230   -3.2008    8.6632 H   0  0  0  0  0
    4.1516   -2.5943    6.5837 H   0  0  0  0  0
   -3.1572   -2.0221   -1.1106 H   0  0  0  0  0
   -5.5632   -2.0895   -1.3778 H   0  0  0  0  0
   -6.8529   -0.0138   -1.8073 H   0  0  0  0  0
   -5.6506    2.1491   -1.9993 H   0  0  0  0  0
   -3.2315    2.2480   -1.7717 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
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  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
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  6  7  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
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 11 12  2  0  0  0
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 12 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL483864

>  <PubChem CID>
25105244

>  <Formula>
C19H21ClN4

>  <Molecular Weight>
340.855000

>  <IUPAC Name>
4-chloro-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CCC2=CC3=C(C(=C2)Cl)N=CN3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1CCC2=CC3=C(C(=C2)Cl)N=CN3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C19H21ClN4/c20-17-12-15(13-18-19(17)22-14-21-18)6-7-23-8-10-24(11-9-23)16-4-2-1-3-5-16/h1-5,12-14H,6-11H2,(H,21,22)

>  <InChI Key>
CJXJDSLDIVGNBF-UHFFFAOYSA-N

