
 CHEMBL212370

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.7279    1.0802   -0.3616 C   0  0  0  0  0
   -0.8188    1.0605   -0.2354 C   0  0  0  0  0
   -1.3843   -0.2162   -0.7307 N   0  0  0  0  0
   -0.7107   -1.4159   -0.1895 C   0  0  0  0  0
    0.8171   -1.3104   -0.3871 C   0  0  0  0  0
    1.4385   -0.0955    0.2002 N   0  0  0  0  0
    1.3666   -0.0752    1.6755 C   0  0  0  0  0
    2.0937   -1.2381    2.2763 C   0  0  0  0  0
    3.4395   -1.5458    2.2263 C   0  0  0  0  0
    3.5779   -2.7268    2.9062 N   0  0  0  0  0
    4.7207   -3.4869    3.1419 C   0  0  0  0  0
    4.6154   -4.6265    3.8483 C   0  0  0  0  0
    3.3068   -5.0254    4.3479 C   0  0  0  0  0
    2.2057   -4.2853    4.1119 C   0  0  0  0  0
    2.3109   -3.0815    3.3577 C   0  0  0  0  0
    1.4036   -2.2045    2.9835 N   0  0  0  0  0
   -2.7889   -0.2199   -0.7390 C   0  0  0  0  0
   -3.5685   -0.9817    0.1441 C   0  0  0  0  0
   -4.9671   -0.9475    0.0940 C   0  0  0  0  0
   -5.6070   -0.1545   -0.8519 C   0  0  0  0  0
   -4.8610    0.6066   -1.7441 C   0  0  0  0  0
   -3.4642    0.5732   -1.6822 C   0  0  0  0  0
   -7.3251   -0.1178   -0.9182 Cl  0  0  0  0  0
    0.9849    1.1436   -1.4276 H   0  0  0  0  0
    1.1180    2.0021    0.0876 H   0  0  0  0  0
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   -1.0649   -2.3077   -0.7213 H   0  0  0  0  0
    1.2997   -2.2198   -0.0124 H   0  0  0  0  0
    1.0302   -1.3030   -1.4650 H   0  0  0  0  0
    0.3359   -0.0646    2.0473 H   0  0  0  0  0
    1.8442    0.8406    2.0466 H   0  0  0  0  0
    4.2734   -1.0449    1.7573 H   0  0  0  0  0
    5.6556   -3.1218    2.7375 H   0  0  0  0  0
    5.4740   -5.2555    4.0580 H   0  0  0  0  0
    3.2425   -5.9448    4.9223 H   0  0  0  0  0
    1.2307   -4.5791    4.4830 H   0  0  0  0  0
   -3.1082   -1.6036    0.9057 H   0  0  0  0  0
   -5.5432   -1.5421    0.7973 H   0  0  0  0  0
   -5.3523    1.2206   -2.4931 H   0  0  0  0  0
   -2.8921    1.1549   -2.4013 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 16  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
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 13 14  2  0  0  0
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 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
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 19 20  2  0  0  0
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 21 41  1  0  0  0
 22 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL212370

>  <PubChem CID>
6469918

>  <Formula>
C18H19ClN4

>  <Molecular Weight>
326.828000

>  <IUPAC Name>
2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CC2=CN3C=CC=CC3=N2)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CN(CCN1CC2=CN3C=CC=CC3=N2)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)13-16-14-23-8-2-1-3-18(23)20-16/h1-8,14H,9-13H2

>  <InChI Key>
NSWRCNIUQFRZFO-UHFFFAOYSA-N

