
 CHEMBL538249

 44 44  0  0  0  0  0  0  0  0999 V2000
    3.6791   -1.1932    0.3632 C   0  0  0  0  0
    2.6522   -0.3232   -0.2466 N   0  0  0  0  0
    1.3149   -0.8809    0.0644 C   0  0  0  0  0
    0.1995   -0.1047   -0.5947 C   0  0  0  0  0
   -0.8038    0.4940    0.1879 C   0  0  0  0  0
   -1.8358    1.2121   -0.4215 C   0  0  0  0  0
   -1.8749    1.3393   -1.8125 C   0  0  0  0  0
   -0.8816    0.7455   -2.5966 C   0  0  0  0  0
    0.1537    0.0249   -1.9927 C   0  0  0  0  0
    2.7795    1.0711    0.2390 C   0  0  0  0  0
    4.1098    1.6734   -0.1177 C   0  0  0  0  0
    5.0337    2.1787    0.7671 C   0  0  0  0  0
    6.0952    2.6325    0.0731 N   0  0  0  0  0
    5.7984    2.3946   -1.2250 C   0  0  0  0  0
    4.5879    1.8089   -1.3665 N   0  0  0  0  0
    6.7142    2.7512   -2.3405 C   0  0  0  0  0
    6.3802    2.4817   -3.6826 C   0  0  0  0  0
    7.2601    2.8308   -4.7126 C   0  0  0  0  0
    8.4763    3.4503   -4.4193 C   0  0  0  0  0
    8.8186    3.7215   -3.0928 C   0  0  0  0  0
    7.9456    3.3755   -2.0585 C   0  0  0  0  0
   -1.9907   -2.9614   -3.9837 Cl  0  0  0  0  0
    2.5516    8.3456   -0.8964 Cl  0  0  0  0  0
    4.6991   -0.8584    0.0816 H   0  0  0  0  0
    3.5758   -2.2341   -0.0103 H   0  0  0  0  0
    3.5940   -1.1976    1.4728 H   0  0  0  0  0
    1.1647   -0.9144    1.1680 H   0  0  0  0  0
    1.2498   -1.9256   -0.3122 H   0  0  0  0  0
   -0.7852    0.4039    1.2669 H   0  0  0  0  0
   -2.6057    1.6717    0.1858 H   0  0  0  0  0
   -2.6751    1.8967   -2.2813 H   0  0  0  0  0
   -0.9141    0.8452   -3.6743 H   0  0  0  0  0
    0.9187   -0.4310   -2.6084 H   0  0  0  0  0
    2.0098    1.7124   -0.2387 H   0  0  0  0  0
    2.6289    1.1128    1.3418 H   0  0  0  0  0
    4.9458    2.2173    1.8437 H   0  0  0  0  0
    4.1054    1.5160   -2.2439 H   0  0  0  0  0
    5.4461    2.0039   -3.9406 H   0  0  0  0  0
    6.9974    2.6213   -5.7418 H   0  0  0  0  0
    9.1547    3.7198   -5.2180 H   0  0  0  0  0
    9.7617    4.2018   -2.8661 H   0  0  0  0  0
    8.2304    3.5957   -1.0373 H   0  0  0  0  0
   -2.3258   -2.3984   -2.7744 H   0  0  0  0  0
    3.2390    7.2622   -1.3926 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 32  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 42  1  0  0  0
 22 43  1  0  0  0
 23 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL538249

>  <PubChem CID>
45264547

>  <Formula>
C18H21Cl2N3

>  <Molecular Weight>
350.287000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C18H19N3.2ClH/c1-21(13-15-8-4-2-5-9-15)14-17-12-19-18(20-17)16-10-6-3-7-11-16;;/h2-12H,13-14H2,1H3,(H,19,20);2*1H

>  <InChI Key>
UGEDLZRGRQEGMY-UHFFFAOYSA-N

