
 CHEMBL545460

 52 52  0  0  0  0  0  0  0  0999 V2000
    3.6142   -0.1630   -1.3767 C   0  0  0  0  0
    4.2666    0.5603   -0.2651 N   0  0  0  0  0
    5.7323    0.3486   -0.3144 C   0  0  0  0  0
    6.0903   -1.0898   -0.0265 C   0  0  0  0  0
    6.4973   -1.9315   -1.0738 C   0  0  0  0  0
    6.8167   -3.2678   -0.8206 C   0  0  0  0  0
    6.7528   -3.7687    0.4818 C   0  0  0  0  0
    6.3581   -2.9359    1.5335 C   0  0  0  0  0
    6.0169   -1.6007    1.2821 C   0  0  0  0  0
    3.9208    1.9935   -0.3730 C   0  0  0  0  0
    4.4194    2.7656    0.8072 C   0  0  0  0  0
    5.2410    3.8632    0.7823 C   0  0  0  0  0
    5.4568    4.2755    2.0528 N   0  0  0  0  0
    4.7583    3.4069    2.8210 C   0  0  0  0  0
    4.1144    2.4799    2.0825 N   0  0  0  0  0
    4.7132    3.4874    4.3039 C   0  0  0  0  0
    4.0647    2.5000    5.0659 C   0  0  0  0  0
    4.0170    2.5921    6.4733 C   0  0  0  0  0
    4.6104    3.6887    7.1161 C   0  0  0  0  0
    5.2707    4.6706    6.3507 C   0  0  0  0  0
    5.3240    4.5655    4.9602 C   0  0  0  0  0
    4.5304    3.7657    8.4724 O   0  0  0  0  0
    4.9592    4.8311    9.2375 C   0  0  0  0  0
    3.4043    1.6468    7.2365 O   0  0  0  0  0
    2.8506    0.4736    6.7664 C   0  0  0  0  0
   -4.0313   -0.2917   -2.0783 Cl  0  0  0  0  0
    0.3649   -0.9600    4.0806 Cl  0  0  0  0  0
    2.5181    0.0184   -1.3784 H   0  0  0  0  0
    3.7518   -1.2587   -1.2697 H   0  0  0  0  0
    4.0267    0.1570   -2.3614 H   0  0  0  0  0
    6.2659    0.9775    0.4321 H   0  0  0  0  0
    6.1160    0.6545   -1.3134 H   0  0  0  0  0
    6.5464   -1.5557   -2.0876 H   0  0  0  0  0
    7.1139   -3.9137   -1.6361 H   0  0  0  0  0
    7.0087   -4.8026    0.6748 H   0  0  0  0  0
    6.3162   -3.3263    2.5425 H   0  0  0  0  0
    5.7126   -0.9641    2.1040 H   0  0  0  0  0
    2.8140    2.1083   -0.3814 H   0  0  0  0  0
    4.3214    2.4307   -1.3163 H   0  0  0  0  0
    5.6621    4.3432   -0.0912 H   0  0  0  0  0
    3.5024    1.6977    2.4001 H   0  0  0  0  0
    3.5998    1.6614    4.5738 H   0  0  0  0  0
    5.7438    5.5207    6.8221 H   0  0  0  0  0
    5.8342    5.3363    4.3962 H   0  0  0  0  0
    4.7560    4.6121   10.3055 H   0  0  0  0  0
    4.4014    5.7498    8.9546 H   0  0  0  0  0
    6.0509    4.9889    9.1111 H   0  0  0  0  0
    2.4241   -0.0925    7.6194 H   0  0  0  0  0
    3.6336   -0.1514    6.2853 H   0  0  0  0  0
    2.0344    0.6907    6.0462 H   0  0  0  0  0
   -4.2244   -1.5433   -1.5410 H   0  0  0  0  0
    0.7772   -2.2066    4.4910 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
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 24 25  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL545460

>  <PubChem CID>
45260737

>  <Formula>
C20H25Cl2N3O2

>  <Molecular Weight>
410.339000

>  <IUPAC Name>
N-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;dihydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C20H23N3O2.2ClH/c1-23(13-15-7-5-4-6-8-15)14-17-12-21-20(22-17)16-9-10-18(24-2)19(11-16)25-3;;/h4-12H,13-14H2,1-3H3,(H,21,22);2*1H

>  <InChI Key>
MNLMUXCHMAWRFD-UHFFFAOYSA-N

