
 CHEMBL2206375

 33 34  0  0  0  0  0  0  0  0999 V2000
    4.8561   -2.1352   -0.0069 C   0  0  0  0  0
    5.8278   -0.9589   -0.1192 C   0  0  0  0  0
    5.7632   -0.3521   -1.5223 C   0  0  0  0  0
    5.5955    0.0269    0.9675 N   0  0  0  0  0
    4.4012    0.9038    0.8976 C   0  0  0  0  0
    3.2014    0.4207    1.6313 C   0  0  0  0  0
    1.9129    0.9058    1.6959 C   0  0  0  0  0
    1.1249    0.0994    2.4752 N   0  0  0  0  0
    1.9189   -0.8593    2.8937 C   0  0  0  0  0
    3.1940   -0.6857    2.4404 N   0  0  0  0  0
    6.7150    0.6516    1.5534 C   0  0  0  0  0
    7.9514    0.7940    0.9020 C   0  0  0  0  0
    9.0323    1.4493    1.5063 C   0  0  0  0  0
    8.8985    1.9640    2.7895 C   0  0  0  0  0
    7.6964    1.8254    3.4716 C   0  0  0  0  0
    6.6188    1.1755    2.8563 C   0  0  0  0  0
   10.2223    2.7742    3.5302 Cl  0  0  0  0  0
    4.9194   -2.6005    0.9824 H   0  0  0  0  0
    5.0992   -2.9045   -0.7480 H   0  0  0  0  0
    3.8195   -1.8288   -0.1776 H   0  0  0  0  0
    6.8218   -1.4067    0.0108 H   0  0  0  0  0
    4.7337   -0.1367   -1.8273 H   0  0  0  0  0
    6.1708   -1.0568   -2.2557 H   0  0  0  0  0
    6.3344    0.5776   -1.5962 H   0  0  0  0  0
    4.1126    1.0660   -0.1461 H   0  0  0  0  0
    4.6267    1.9140    1.2682 H   0  0  0  0  0
    1.5075    1.7863    1.2136 H   0  0  0  0  0
    1.6297   -1.6930    3.5206 H   0  0  0  0  0
    3.9922   -1.2786    2.6239 H   0  0  0  0  0
    8.1020    0.4271   -0.1081 H   0  0  0  0  0
    9.9668    1.5568    0.9628 H   0  0  0  0  0
    7.5849    2.2182    4.4784 H   0  0  0  0  0
    5.6927    1.0724    3.4175 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4 11  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2206375

>  <PubChem CID>
24947142

>  <Formula>
C13H16ClN3

>  <Molecular Weight>
249.742000

>  <IUPAC Name>
4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)N(CC1=CN=CN1)C2=CC=C(C=C2)Cl

>  <Isomeric SMILES>
CC(C)N(CC1=CN=CN1)C2=CC=C(C=C2)Cl

>  <InChI Std. ID>
InChI=1S/C13H16ClN3/c1-10(2)17(8-12-7-15-9-16-12)13-5-3-11(14)4-6-13/h3-7,9-10H,8H2,1-2H3,(H,15,16)

>  <InChI Key>
AOHLEOYTKMSKPD-UHFFFAOYSA-N

