
 CHEMBL543115

 48 48  0  0  0  0  0  0  0  0999 V2000
    5.6100    2.9974    2.6271 C   0  0  0  0  0
    6.2030    2.0885    1.6223 N   0  0  0  0  0
    6.1557    0.6852    2.0955 C   0  0  0  0  0
    6.9693    0.4635    3.3485 C   0  0  0  0  0
    8.3496    0.7217    3.3541 C   0  0  0  0  0
    9.1011    0.5007    4.5136 C   0  0  0  0  0
    8.4806    0.0214    5.6712 C   0  0  0  0  0
    7.1075   -0.2362    5.6730 C   0  0  0  0  0
    6.3522   -0.0169    4.5174 C   0  0  0  0  0
    5.4728    2.1741    0.3356 C   0  0  0  0  0
    5.4974    3.5568   -0.2518 C   0  0  0  0  0
    6.6001    4.2753   -0.6503 C   0  0  0  0  0
    6.1899    5.4764   -1.1075 N   0  0  0  0  0
    4.8421    5.4669   -0.9784 C   0  0  0  0  0
    4.4008    4.2988   -0.4617 N   0  0  0  0  0
    3.9582    6.6192   -1.3390 C   0  0  0  0  0
    4.4974    7.8238   -1.8627 C   0  0  0  0  0
    3.6276    8.8939   -2.1721 C   0  0  0  0  0
    2.2542    8.7749   -1.9667 C   0  0  0  0  0
    1.7233    7.5952   -1.4538 C   0  0  0  0  0
    2.5635    6.5256   -1.1426 C   0  0  0  0  0
   -0.1597    7.4418   -1.1687 Br  0  0  0  0  0
    5.8412    7.9299   -2.0545 O   0  0  0  0  0
    6.5028    9.0615   -2.4878 C   0  0  0  0  0
    0.7642   -4.1305    5.5804 Cl  0  0  0  0  0
    1.5240    1.5995   -2.1513 Cl  0  0  0  0  0
    4.5434    2.7476    2.8192 H   0  0  0  0  0
    5.6796    4.0537    2.2923 H   0  0  0  0  0
    6.1727    2.9487    3.5828 H   0  0  0  0  0
    6.5766    0.0135    1.3150 H   0  0  0  0  0
    5.0975    0.3771    2.2626 H   0  0  0  0  0
    8.8396    1.0899    2.4614 H   0  0  0  0  0
   10.1650    0.6985    4.5145 H   0  0  0  0  0
    9.0638   -0.1515    6.5666 H   0  0  0  0  0
    6.6280   -0.6082    6.5694 H   0  0  0  0  0
    5.2892   -0.2234    4.5323 H   0  0  0  0  0
    4.4126    1.8638    0.4802 H   0  0  0  0  0
    5.9318    1.4877   -0.4096 H   0  0  0  0  0
    7.6323    3.9543   -0.6096 H   0  0  0  0  0
    3.4240    4.0073   -0.2459 H   0  0  0  0  0
    4.0068    9.8243   -2.5711 H   0  0  0  0  0
    1.6007    9.6041   -2.2059 H   0  0  0  0  0
    2.1140    5.6300   -0.7435 H   0  0  0  0  0
    6.1415    9.3637   -3.4939 H   0  0  0  0  0
    7.5876    8.8415   -2.5575 H   0  0  0  0  0
    6.3568    9.8895   -1.7615 H   0  0  0  0  0
   -0.1770   -3.3155    4.9954 H   0  0  0  0  0
    0.3369    2.0700   -2.6640 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  2  0  0  0
  8 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 23  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 22  1  0  0  0
 21 43  1  0  0  0
 23 24  1  0  0  0
 24 44  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
 25 47  1  0  0  0
 26 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL543115

>  <PubChem CID>
45260712

>  <Formula>
C19H22BrCl2N3O

>  <Molecular Weight>
459.209000

>  <IUPAC Name>
N-[[2-(5-bromo-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=C(C=CC(=C3)Br)OC.Cl.Cl

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

>  <InChI Std. ID>
InChI=1S/C19H20BrN3O.2ClH/c1-23(12-14-6-4-3-5-7-14)13-16-11-21-19(22-16)17-10-15(20)8-9-18(17)24-2;;/h3-11H,12-13H2,1-2H3,(H,21,22);2*1H

>  <InChI Key>
WJXNGKJDONHSEJ-UHFFFAOYSA-N

