
 CHEMBL538753

 44 44  0  0  0  0  0  0  0  0999 V2000
    1.9103    1.7602   -1.4405 C   0  0  0  0  0
    3.0838    0.9511   -1.0615 N   0  0  0  0  0
    2.7506   -0.4850   -1.2075 C   0  0  0  0  0
    3.9502   -1.3726   -0.9676 C   0  0  0  0  0
    3.9337   -2.3234    0.0682 C   0  0  0  0  0
    5.0471   -3.1386    0.2931 C   0  0  0  0  0
    6.1814   -3.0131   -0.5130 C   0  0  0  0  0
    6.2049   -2.0713   -1.5458 C   0  0  0  0  0
    5.0938   -1.2520   -1.7744 C   0  0  0  0  0
    3.5133    1.2546    0.3225 C   0  0  0  0  0
    4.0046    2.6659    0.4755 C   0  0  0  0  0
    3.5495    3.5900    1.3861 C   0  0  0  0  0
    4.2726    4.7188    1.2543 N   0  0  0  0  0
    5.1465    4.4672    0.2529 C   0  0  0  0  0
    4.9974    3.2168   -0.2418 N   0  0  0  0  0
    6.1610    5.4508   -0.2158 C   0  0  0  0  0
    6.8859    5.2273   -1.4031 C   0  0  0  0  0
    7.8392    6.1542   -1.8356 C   0  0  0  0  0
    8.0896    7.3054   -1.0878 C   0  0  0  0  0
    7.3821    7.5389    0.0917 C   0  0  0  0  0
    6.4175    6.6252    0.5278 C   0  0  0  0  0
    5.7540    6.8794    1.6843 F   0  0  0  0  0
   -3.9944   -1.2972    1.2076 Cl  0  0  0  0  0
   -1.5137    3.1577   -2.4379 Cl  0  0  0  0  0
    1.0453    1.5535   -0.7715 H   0  0  0  0  0
    2.1479    2.8437   -1.3990 H   0  0  0  0  0
    1.6139    1.5400   -2.4890 H   0  0  0  0  0
    1.9209   -0.7539   -0.5135 H   0  0  0  0  0
    2.3968   -0.6875   -2.2429 H   0  0  0  0  0
    3.0622   -2.4298    0.7020 H   0  0  0  0  0
    5.0305   -3.8675    1.0934 H   0  0  0  0  0
    7.0422   -3.6453   -0.3368 H   0  0  0  0  0
    7.0845   -1.9760   -2.1690 H   0  0  0  0  0
    5.1222   -0.5243   -2.5758 H   0  0  0  0  0
    4.3756    0.6126    0.5979 H   0  0  0  0  0
    2.6907    1.0519    1.0456 H   0  0  0  0  0
    2.7615    3.4500    2.1135 H   0  0  0  0  0
    5.5416    2.7491   -0.9987 H   0  0  0  0  0
    6.7123    4.3475   -2.0048 H   0  0  0  0  0
    8.3865    5.9781   -2.7529 H   0  0  0  0  0
    8.8330    8.0175   -1.4225 H   0  0  0  0  0
    7.5828    8.4306    0.6713 H   0  0  0  0  0
   -3.4565   -0.0312    1.2216 H   0  0  0  0  0
   -1.0501    2.3656   -3.4626 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 23 43  1  0  0  0
 24 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL538753

>  <PubChem CID>
45264554

>  <Formula>
C18H20Cl2FN3

>  <Molecular Weight>
368.277000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CC1=CC=CC=C1)CC2=CN=C(N2)C3=CC=CC=C3F.Cl.Cl

>  <Isomeric SMILES>
CN(CC1=CC=CC=C1)CC2=CN=C(N2)C3=CC=CC=C3F.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C18H18FN3.2ClH/c1-22(12-14-7-3-2-4-8-14)13-15-11-20-18(21-15)16-9-5-6-10-17(16)19;;/h2-11H,12-13H2,1H3,(H,20,21);2*1H

>  <InChI Key>
RXEBYNNVOVKJAD-UHFFFAOYSA-N

