
 CHEMBL540284

 48 48  0  0  0  0  0  0  0  0999 V2000
    6.9279    0.0154    2.8039 C   0  0  0  0  0
    5.9285    0.9000    2.1735 N   0  0  0  0  0
    4.6024    0.2425    2.2291 C   0  0  0  0  0
    3.5359    1.0473    1.5254 C   0  0  0  0  0
    3.6714    1.3699    0.1652 C   0  0  0  0  0
    2.6840    2.1226   -0.4801 C   0  0  0  0  0
    1.5576    2.5536    0.2265 C   0  0  0  0  0
    1.4152    2.2340    1.5791 C   0  0  0  0  0
    2.3995    1.4838    2.2285 C   0  0  0  0  0
    5.9063    2.2270    2.8316 C   0  0  0  0  0
    7.2057    2.9575    2.6495 C   0  0  0  0  0
    8.0211    3.4321    3.6499 C   0  0  0  0  0
    9.0855    4.0389    3.0897 N   0  0  0  0  0
    8.9006    3.9192    1.7548 C   0  0  0  0  0
    7.7557    3.2607    1.4629 N   0  0  0  0  0
    9.8545    4.4633    0.7517 C   0  0  0  0  0
   10.9846    5.1848    1.1838 C   0  0  0  0  0
   11.8998    5.7160    0.2491 C   0  0  0  0  0
   11.6747    5.5141   -1.1166 C   0  0  0  0  0
   10.5591    4.7982   -1.5518 C   0  0  0  0  0
    9.6506    4.2762   -0.6276 C   0  0  0  0  0
   12.9974    6.4246    0.6267 O   0  0  0  0  0
   13.3461    6.7201    1.9292 C   0  0  0  0  0
    2.5896    6.0146    1.5459 Cl  0  0  0  0  0
   -0.5400   -4.0219    3.4682 Cl  0  0  0  0  0
    6.6987   -0.1465    3.8812 H   0  0  0  0  0
    7.9482    0.4426    2.7143 H   0  0  0  0  0
    6.9509   -0.9698    2.2899 H   0  0  0  0  0
    4.3141    0.0558    3.2891 H   0  0  0  0  0
    4.6562   -0.7446    1.7185 H   0  0  0  0  0
    4.5417    1.0418   -0.3899 H   0  0  0  0  0
    2.7924    2.3720   -1.5273 H   0  0  0  0  0
    0.7945    3.1362   -0.2740 H   0  0  0  0  0
    0.5427    2.5681    2.1252 H   0  0  0  0  0
    2.2778    1.2446    3.2778 H   0  0  0  0  0
    5.6681    2.1238    3.9143 H   0  0  0  0  0
    5.1296    2.8713    2.3688 H   0  0  0  0  0
    7.8544    3.3496    4.7157 H   0  0  0  0  0
    7.3602    3.0280    0.5259 H   0  0  0  0  0
   11.1458    5.3336    2.2426 H   0  0  0  0  0
   12.3697    5.9158   -1.8434 H   0  0  0  0  0
   10.3960    4.6486   -2.6116 H   0  0  0  0  0
    8.7976    3.7274   -0.9980 H   0  0  0  0  0
   14.2837    7.3131    1.9267 H   0  0  0  0  0
   13.5218    5.7853    2.5031 H   0  0  0  0  0
   12.5496    7.3245    2.4135 H   0  0  0  0  0
    3.1301    5.1599    2.4781 H   0  0  0  0  0
   -1.3885   -3.3006    2.6607 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 22  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 43  1  0  0  0
 22 23  1  0  0  0
 23 44  1  0  0  0
 23 45  1  0  0  0
 23 46  1  0  0  0
 24 47  1  0  0  0
 25 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL540284

>  <PubChem CID>
45264519

>  <Formula>
C19H23Cl2N3O

>  <Molecular Weight>
380.313000

>  <IUPAC Name>
N-[[2-(3-methoxyphenyl)-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=C3)OC.Cl.Cl

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

>  <InChI Std. ID>
InChI=1S/C19H21N3O.2ClH/c1-22(13-15-7-4-3-5-8-15)14-17-12-20-19(21-17)16-9-6-10-18(11-16)23-2;;/h3-12H,13-14H2,1-2H3,(H,20,21);2*1H

>  <InChI Key>
KPGNYAMIWBKNHR-UHFFFAOYSA-N

