
 CHEMBL541062

 48 48  0  0  0  0  0  0  0  0999 V2000
    4.3463    0.2412    3.0841 C   0  0  0  0  0
    5.0772    0.5443    1.8412 N   0  0  0  0  0
    4.4484   -0.0131    0.6188 C   0  0  0  0  0
    3.1497    0.6492    0.1765 C   0  0  0  0  0
    3.1016    1.3370   -1.0518 C   0  0  0  0  0
    1.9095    1.9231   -1.4903 C   0  0  0  0  0
    0.7547    1.8299   -0.7126 C   0  0  0  0  0
    0.7864    1.1447    0.5031 C   0  0  0  0  0
    1.9734    0.5515    0.9462 C   0  0  0  0  0
    5.4075    1.9785    1.7139 C   0  0  0  0  0
    6.2917    2.4375    2.8438 C   0  0  0  0  0
    5.9764    3.3939    3.7793 C   0  0  0  0  0
    7.0130    3.5237    4.6303 N   0  0  0  0  0
    7.9453    2.6467    4.1938 C   0  0  0  0  0
    7.5243    1.9677    3.1012 N   0  0  0  0  0
    9.2738    2.4956    4.8443 C   0  0  0  0  0
    9.5577    3.2253    6.0129 C   0  0  0  0  0
   10.8084    3.1294    6.6261 C   0  0  0  0  0
   11.8072    2.3172    6.0832 C   0  0  0  0  0
   11.5276    1.5715    4.9193 C   0  0  0  0  0
   10.2689    1.6573    4.3085 C   0  0  0  0  0
   13.0194    2.2870    6.6977 O   0  0  0  0  0
   14.1597    1.7044    6.1846 C   0  0  0  0  0
   -2.5162   -2.5608    0.6640 Cl  0  0  0  0  0
    2.0288    3.8351    2.9986 Cl  0  0  0  0  0
    5.0159    0.3805    3.9583 H   0  0  0  0  0
    4.0188   -0.8201    3.1003 H   0  0  0  0  0
    3.4761    0.9158    3.2201 H   0  0  0  0  0
    4.2704   -1.1026    0.7473 H   0  0  0  0  0
    5.1969    0.0683   -0.1999 H   0  0  0  0  0
    3.9852    1.4146   -1.6722 H   0  0  0  0  0
    1.8810    2.4469   -2.4377 H   0  0  0  0  0
   -0.1676    2.2820   -1.0553 H   0  0  0  0  0
   -0.1131    1.0649    1.1005 H   0  0  0  0  0
    1.9618    0.0059    1.8765 H   0  0  0  0  0
    4.4734    2.5823    1.6967 H   0  0  0  0  0
    5.9538    2.1641    0.7637 H   0  0  0  0  0
    5.0588    3.9603    3.8465 H   0  0  0  0  0
    8.0318    1.2364    2.5568 H   0  0  0  0  0
    8.8119    3.8770    6.4503 H   0  0  0  0  0
   11.0093    3.7050    7.5209 H   0  0  0  0  0
   12.2767    0.9292    4.4768 H   0  0  0  0  0
   10.0881    1.0810    3.4132 H   0  0  0  0  0
   14.9914    1.8444    6.9056 H   0  0  0  0  0
   14.4387    2.2001    5.2294 H   0  0  0  0  0
   14.0114    0.6161    6.0254 H   0  0  0  0  0
   -3.4128   -3.3707    1.3223 H   0  0  0  0  0
    2.5393    3.2066    4.1108 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 41  1  0  0  0
 19 20  1  0  0  0
 19 22  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>
CHEMBL541062

>  <PubChem CID>
45264651

>  <Formula>
C19H23Cl2N3O

>  <Molecular Weight>
380.313000

>  <IUPAC Name>
N-[[2-(4-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=C(C=C3)OC.Cl.Cl

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

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

>  <InChI Key>
YKSWKEHISPWZKT-UHFFFAOYSA-N

