
 CHEMBL483247

 45 48  0  0  0  0  0  0  0  0999 V2000
    0.2990    1.3592    0.0394 C   0  0  0  0  0
   -1.2009    1.1085    0.3234 C   0  0  0  0  0
   -1.6773   -0.1240   -0.3402 N   0  0  0  0  0
   -0.8035   -1.2945   -0.1325 C   0  0  0  0  0
    0.6975   -0.9723   -0.3424 C   0  0  0  0  0
    1.2049    0.2308    0.3617 N   0  0  0  0  0
    1.3445   -0.0130    1.8106 C   0  0  0  0  0
    2.1439    1.0979    2.5194 C   0  0  0  0  0
    2.3639    0.8401    3.9971 C   0  0  0  0  0
    1.7759    1.6972    4.9496 C   0  0  0  0  0
    2.0558    1.4595    6.3007 C   0  0  0  0  0
    2.8702    0.4185    6.7438 C   0  0  0  0  0
    3.4308   -0.4273    5.7743 C   0  0  0  0  0
    3.1868   -0.2172    4.4147 C   0  0  0  0  0
    4.4271   -1.6939    6.3376 Cl  0  0  0  0  0
    2.9675    0.4409    8.1204 N   0  0  0  0  0
    2.2452    1.4653    8.5085 C   0  0  0  0  0
    1.6714    2.1067    7.4487 N   0  0  0  0  0
   -2.3453    0.0699   -1.5563 C   0  0  0  0  0
   -1.8071   -0.3779   -2.7755 C   0  0  0  0  0
   -2.4542   -0.1561   -3.9980 C   0  0  0  0  0
   -3.6696    0.5160   -4.0360 C   0  0  0  0  0
   -4.2460    0.9532   -2.8484 C   0  0  0  0  0
   -3.5995    0.7279   -1.6250 C   0  0  0  0  0
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    0.4155    1.5809   -1.0303 H   0  0  0  0  0
    0.6165    2.2738    0.5502 H   0  0  0  0  0
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    1.2984   -1.8491   -0.0710 H   0  0  0  0  0
    0.8855   -0.8215   -1.4121 H   0  0  0  0  0
    1.8923   -0.9544    1.9481 H   0  0  0  0  0
    0.3744   -0.1514    2.3018 H   0  0  0  0  0
    1.6322    2.0606    2.4097 H   0  0  0  0  0
    3.1255    1.2187    2.0424 H   0  0  0  0  0
    1.1432    2.5271    4.6483 H   0  0  0  0  0
    3.6547   -0.8729    3.6844 H   0  0  0  0  0
    2.1029    1.7884    9.5312 H   0  0  0  0  0
    1.0775    2.9210    7.5019 H   0  0  0  0  0
   -0.8539   -0.8949   -2.8067 H   0  0  0  0  0
   -1.9999   -0.5096   -4.9207 H   0  0  0  0  0
   -4.1716    0.6887   -4.9842 H   0  0  0  0  0
   -5.2073    1.4598   -2.8747 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  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 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
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  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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M  END

>  <Chemical Name>
CHEMBL483247

>  <PubChem CID>
25105312

>  <Formula>
C19H20Cl2N4

>  <Molecular Weight>
375.297000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CCC2=CC3=C(C(=C2)Cl)N=CN3)C4=CC=CC=C4Cl

>  <Isomeric SMILES>
C1CN(CCN1CCC2=CC3=C(C(=C2)Cl)N=CN3)C4=CC=CC=C4Cl

>  <InChI Std. ID>
InChI=1S/C19H20Cl2N4/c20-15-3-1-2-4-18(15)25-9-7-24(8-10-25)6-5-14-11-16(21)19-17(12-14)22-13-23-19/h1-4,11-13H,5-10H2,(H,22,23)

>  <InChI Key>
DQJJHGLWMUCFCC-UHFFFAOYSA-N

