
 CHEMBL541820

 52 52  0  0  0  0  0  0  0  0999 V2000
    1.2045    0.8566   -0.8943 C   0  0  0  0  0
    2.6651    0.8627   -0.7029 N   0  0  0  0  0
    3.2690   -0.2329   -1.5000 C   0  0  0  0  0
    4.6516   -0.5924   -1.0165 C   0  0  0  0  0
    4.8499   -0.9864    0.3177 C   0  0  0  0  0
    6.1283   -1.3310    0.7672 C   0  0  0  0  0
    7.2142   -1.2907   -0.1114 C   0  0  0  0  0
    7.0243   -0.9043   -1.4408 C   0  0  0  0  0
    5.7482   -0.5554   -1.8948 C   0  0  0  0  0
    3.1886    2.2017   -1.0593 C   0  0  0  0  0
    4.6046    2.3940   -0.6131 C   0  0  0  0  0
    5.6696    2.7355   -1.4095 C   0  0  0  0  0
    6.7716    2.8144   -0.6424 N   0  0  0  0  0
    6.3600    2.5176    0.6119 C   0  0  0  0  0
    5.0330    2.2617    0.6527 N   0  0  0  0  0
    7.2809    2.4582    1.7894 C   0  0  0  0  0
    8.6576    2.7709    1.6431 C   0  0  0  0  0
    9.5241    2.6839    2.7647 C   0  0  0  0  0
    9.0026    2.2749    4.0082 C   0  0  0  0  0
    7.6532    1.9637    4.1410 C   0  0  0  0  0
    6.7972    2.0547    3.0470 C   0  0  0  0  0
   10.8353    3.0161    2.6272 O   0  0  0  0  0
   11.8033    2.9136    3.6054 C   0  0  0  0  0
    9.1044    3.1566    0.4169 O   0  0  0  0  0
   10.2623    2.7332   -0.2023 C   0  0  0  0  0
    1.2525   -0.7900    2.8607 Cl  0  0  0  0  0
    1.7436    3.0384    2.4954 Cl  0  0  0  0  0
    0.7270    1.6408   -0.2686 H   0  0  0  0  0
    0.7751   -0.1145   -0.5666 H   0  0  0  0  0
    0.9386    1.0313   -1.9614 H   0  0  0  0  0
    2.6670   -1.1620   -1.3825 H   0  0  0  0  0
    3.2643    0.0231   -2.5840 H   0  0  0  0  0
    4.0145   -1.0234    1.0057 H   0  0  0  0  0
    6.2766   -1.6320    1.7962 H   0  0  0  0  0
    8.2027   -1.5613    0.2375 H   0  0  0  0  0
    7.8663   -0.8769   -2.1208 H   0  0  0  0  0
    5.6141   -0.2602   -2.9281 H   0  0  0  0  0
    3.0978    2.3839   -2.1541 H   0  0  0  0  0
    2.5999    2.9861   -0.5348 H   0  0  0  0  0
    5.6529    2.9145   -2.4762 H   0  0  0  0  0
    4.4439    2.0035    1.4719 H   0  0  0  0  0
    9.6359    2.1993    4.8816 H   0  0  0  0  0
    7.2666    1.6488    5.1018 H   0  0  0  0  0
    5.7589    1.7981    3.1918 H   0  0  0  0  0
   12.7693    3.2712    3.1936 H   0  0  0  0  0
   11.9220    1.8527    3.9122 H   0  0  0  0  0
   11.5428    3.5434    4.4823 H   0  0  0  0  0
   10.3183    3.2091   -1.2022 H   0  0  0  0  0
   10.2197    1.6326   -0.3448 H   0  0  0  0  0
   11.1780    3.0172    0.3449 H   0  0  0  0  0
    2.3889   -1.4902    3.1931 H   0  0  0  0  0
    2.5666    2.2192    3.2329 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 24  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 23 45  1  0  0  0
 23 46  1  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 25 48  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 26 51  1  0  0  0
 27 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL541820

>  <PubChem CID>
45264541

>  <Formula>
C20H25Cl2N3O2

>  <Molecular Weight>
410.339000

>  <IUPAC Name>
N-[[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC1=CC=CC=C1)CC2=CN=C(N2)C3=C(C(=CC=C3)OC)OC.Cl.Cl

>  <Isomeric SMILES>
CN(CC1=CC=CC=C1)CC2=CN=C(N2)C3=C(C(=CC=C3)OC)OC.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C20H23N3O2.2ClH/c1-23(13-15-8-5-4-6-9-15)14-16-12-21-20(22-16)17-10-7-11-18(24-2)19(17)25-3;;/h4-12H,13-14H2,1-3H3,(H,21,22);2*1H

>  <InChI Key>
YOPMBMUEYVWCBD-UHFFFAOYSA-N

