
 CHEMBL555067

 48 48  0  0  0  0  0  0  0  0999 V2000
    6.9845    0.5444   -0.2007 C   0  0  0  0  0
    7.0278    1.5898    0.8371 N   0  0  0  0  0
    8.1846    2.4830    0.5756 C   0  0  0  0  0
    8.5131    3.3479    1.7669 C   0  0  0  0  0
    8.8350    2.7566    3.0003 C   0  0  0  0  0
    9.1196    3.5571    4.1108 C   0  0  0  0  0
    9.0896    4.9498    3.9970 C   0  0  0  0  0
    8.7800    5.5451    2.7710 C   0  0  0  0  0
    8.4950    4.7492    1.6571 C   0  0  0  0  0
    5.7288    2.3056    0.8423 C   0  0  0  0  0
    5.5774    3.2174    2.0238 C   0  0  0  0  0
    5.6179    2.8639    3.3522 C   0  0  0  0  0
    5.4567    3.9739    4.0994 N   0  0  0  0  0
    5.3142    4.9852    3.2109 C   0  0  0  0  0
    5.3818    4.5414    1.9358 N   0  0  0  0  0
    5.1169    6.4146    3.6033 C   0  0  0  0  0
    4.9732    7.4065    2.6102 C   0  0  0  0  0
    4.7822    8.7434    2.9594 C   0  0  0  0  0
    4.7315    9.1179    4.2984 C   0  0  0  0  0
    4.8709    8.1580    5.2996 C   0  0  0  0  0
    5.0648    6.7979    4.9694 C   0  0  0  0  0
    5.2011    5.8495    5.9365 O   0  0  0  0  0
    5.0877    6.0636    7.2953 C   0  0  0  0  0
    0.9816   -3.4222    5.2718 Cl  0  0  0  0  0
    2.9735    4.1361   -1.0276 Cl  0  0  0  0  0
    6.1556   -0.1681   -0.0019 H   0  0  0  0  0
    7.9247   -0.0492   -0.1953 H   0  0  0  0  0
    6.8442    0.9877   -1.2127 H   0  0  0  0  0
    7.9978    3.0987   -0.3338 H   0  0  0  0  0
    9.0968    1.8761    0.3797 H   0  0  0  0  0
    8.8546    1.6781    3.1002 H   0  0  0  0  0
    9.3597    3.0979    5.0611 H   0  0  0  0  0
    9.3062    5.5679    4.8584 H   0  0  0  0  0
    8.7566    6.6234    2.6844 H   0  0  0  0  0
    8.2498    5.2225    0.7149 H   0  0  0  0  0
    4.8926    1.5736    0.9093 H   0  0  0  0  0
    5.6029    2.8822   -0.1008 H   0  0  0  0  0
    5.7662    1.8707    3.7543 H   0  0  0  0  0
    5.3096    5.0861    1.0502 H   0  0  0  0  0
    5.0049    7.1593    1.5608 H   0  0  0  0  0
    4.6721    9.4926    2.1858 H   0  0  0  0  0
    4.5829   10.1570    4.5623 H   0  0  0  0  0
    4.8269    8.4815    6.3302 H   0  0  0  0  0
    5.8486    6.7959    7.6404 H   0  0  0  0  0
    5.2588    5.1053    7.8262 H   0  0  0  0  0
    4.0658    6.4247    7.5391 H   0  0  0  0  0
    0.3682   -2.3878    5.9398 H   0  0  0  0  0
    3.5751    5.0077   -1.9055 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 42  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
 21 22  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>
CHEMBL555067

>  <PubChem CID>
45264605

>  <Formula>
C19H23Cl2N3O

>  <Molecular Weight>
380.313000

>  <IUPAC Name>
N-[[2-(2-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=C3OC.Cl.Cl

>  <Isomeric SMILES>
CN(CC1=CC=CC=C1)CC2=CN=C(N2)C3=CC=CC=C3OC.Cl.Cl

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

>  <InChI Key>
SPRDZMNXNJKEJA-UHFFFAOYSA-N

