
 CHEMBL267853

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.6090    1.0814   -0.3656 C   0  0  0  0  0
   -0.9411    1.0554   -0.3894 C   0  0  0  0  0
   -1.4700   -0.1933   -0.9917 N   0  0  0  0  0
   -0.8060   -1.4275   -0.5167 C   0  0  0  0  0
    0.7306   -1.2910   -0.5366 C   0  0  0  0  0
    1.2658   -0.1207    0.1999 N   0  0  0  0  0
    1.0476   -0.1946    1.6529 C   0  0  0  0  0
    1.7144   -1.3682    2.2739 C   0  0  0  0  0
    1.1797   -2.4291    2.9745 C   0  0  0  0  0
    2.1468   -3.3161    3.3545 N   0  0  0  0  0
    3.2861   -2.8250    2.9112 C   0  0  0  0  0
    3.0712   -1.6102    2.2554 N   0  0  0  0  0
    4.1191   -0.8752    1.7121 C   0  0  0  0  0
    5.3704   -1.3422    1.8066 C   0  0  0  0  0
    5.5020   -2.6496    2.5063 C   0  0  0  0  0
    4.5424   -3.3493    3.0268 N   0  0  0  0  0
   -2.8695   -0.2284   -1.1447 C   0  0  0  0  0
   -3.6594   -1.3217   -0.7457 C   0  0  0  0  0
   -5.0511   -1.3302   -0.9107 C   0  0  0  0  0
   -5.6847   -0.2431   -1.4969 C   0  0  0  0  0
   -4.9365    0.8429   -1.9295 C   0  0  0  0  0
   -3.5458    0.8412   -1.7604 C   0  0  0  0  0
   -7.3923   -0.2479   -1.6969 Cl  0  0  0  0  0
    0.9678    1.2027   -1.3968 H   0  0  0  0  0
    0.9500    1.9780    0.1671 H   0  0  0  0  0
   -1.2571    1.9374   -0.9560 H   0  0  0  0  0
   -1.3310    1.1640    0.6302 H   0  0  0  0  0
   -1.1356   -1.6710    0.5007 H   0  0  0  0  0
   -1.0682   -2.2673   -1.1724 H   0  0  0  0  0
    1.1852   -2.2205   -0.1754 H   0  0  0  0  0
    1.0594   -1.2062   -1.5816 H   0  0  0  0  0
   -0.0184   -0.2121    1.9083 H   0  0  0  0  0
    1.4574    0.7094    2.1231 H   0  0  0  0  0
    0.1392   -2.6053    3.2166 H   0  0  0  0  0
    3.8763    0.0574    1.2194 H   0  0  0  0  0
    6.2458   -0.8484    1.4122 H   0  0  0  0  0
    6.5318   -3.0382    2.5710 H   0  0  0  0  0
   -3.2186   -2.1972   -0.2790 H   0  0  0  0  0
   -5.6254   -2.1906   -0.5781 H   0  0  0  0  0
   -5.4187    1.6903   -2.4083 H   0  0  0  0  0
   -2.9919    1.6890   -2.1536 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 12  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 11 16  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL267853

>  <PubChem CID>
44264622

>  <Formula>
C17H18ClN5

>  <Molecular Weight>
327.816000

>  <IUPAC Name>
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC2=CN=C3N2C=CC=N3)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CN(CCN1CC2=CN=C3N2C=CC=N3)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C17H18ClN5/c18-14-2-4-15(5-3-14)22-10-8-21(9-11-22)13-16-12-20-17-19-6-1-7-23(16)17/h1-7,12H,8-11,13H2

>  <InChI Key>
CFXIWIZPWMZACA-UHFFFAOYSA-N

