
 CHEMBL219179

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.8397    0.9148   -0.8567 C   0  0  0  0  0
   -0.3914    0.7828   -1.7866 C   0  0  0  0  0
   -0.3837   -0.4708   -2.5733 N   0  0  0  0  0
    0.0587   -1.6834   -1.8581 C   0  0  0  0  0
    1.2840   -1.4141   -0.9585 C   0  0  0  0  0
    1.1461   -0.2730   -0.0218 N   0  0  0  0  0
    0.0691   -0.4953    0.9676 C   0  0  0  0  0
    0.3203   -1.6921    1.8306 C   0  0  0  0  0
   -0.4328   -2.7689    1.9300 N   0  0  0  0  0
    0.2390   -3.6098    2.7830 C   0  0  0  0  0
   -0.1013   -4.8948    3.2276 C   0  0  0  0  0
    0.7771   -5.5608    4.0917 C   0  0  0  0  0
    1.9679   -4.9576    4.5058 C   0  0  0  0  0
    2.3216   -3.6727    4.0759 C   0  0  0  0  0
    1.4286   -3.0327    3.2152 C   0  0  0  0  0
    1.4519   -1.8081    2.6013 N   0  0  0  0  0
   -1.5366   -0.6090   -3.3734 C   0  0  0  0  0
   -2.3354    0.4720   -3.5536 N   0  0  0  0  0
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    0.0042    0.3808    1.6250 H   0  0  0  0  0
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    0.5279   -6.5597    4.4405 H   0  0  0  0  0
    2.6344   -5.4976    5.1746 H   0  0  0  0  0
    3.2465   -3.2062    4.3965 H   0  0  0  0  0
    2.1917   -1.1231    2.6474 H   0  0  0  0  0
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   -1.2248   -2.6906   -3.9151 H   0  0  0  0  0
   -5.3770   -0.0769   -5.7658 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
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 23 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL219179

>  <PubChem CID>
9861462

>  <Formula>
C17H19N5O

>  <Molecular Weight>
309.373000

>  <IUPAC Name>
6-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]pyridin-3-ol

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=NC=C(C=C4)O

>  <Isomeric SMILES>
C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=NC=C(C=C4)O

>  <InChI Std. ID>
InChI=1S/C17H19N5O/c23-13-5-6-17(18-11-13)22-9-7-21(8-10-22)12-16-19-14-3-1-2-4-15(14)20-16/h1-6,11,23H,7-10,12H2,(H,19,20)

>  <InChI Key>
CBDXXUZXRDBOGH-UHFFFAOYSA-N

