
 CHEMBL555009

 44 44  0  0  0  0  0  0  0  0999 V2000
    4.2685   -0.4049    0.9257 C   0  0  0  0  0
    3.0154   -0.2190    0.1717 N   0  0  0  0  0
    1.9036   -0.8282    0.9457 C   0  0  0  0  0
    0.6041   -0.8657    0.1795 C   0  0  0  0  0
   -0.5369   -0.2239    0.6906 C   0  0  0  0  0
   -1.7362   -0.2452   -0.0259 C   0  0  0  0  0
   -1.8073   -0.9062   -1.2547 C   0  0  0  0  0
   -0.6794   -1.5545   -1.7665 C   0  0  0  0  0
    0.5229   -1.5397   -1.0512 C   0  0  0  0  0
    2.8254    1.2277   -0.0948 C   0  0  0  0  0
    1.8012    1.4713   -1.1637 C   0  0  0  0  0
    1.8323    1.0030   -2.4581 C   0  0  0  0  0
    0.7189    1.4186   -3.0949 N   0  0  0  0  0
    0.0350    2.1405   -2.1771 C   0  0  0  0  0
    0.6815    2.1896   -0.9922 N   0  0  0  0  0
   -1.2734    2.7848   -2.4542 C   0  0  0  0  0
   -1.9180    3.5761   -1.4827 C   0  0  0  0  0
   -3.1469    4.1794   -1.7653 C   0  0  0  0  0
   -3.7482    3.9979   -3.0124 C   0  0  0  0  0
   -3.1222    3.2113   -3.9807 C   0  0  0  0  0
   -1.8902    2.6082   -3.7069 C   0  0  0  0  0
   -4.9407    4.5834   -3.2807 F   0  0  0  0  0
    2.6706    2.0421    7.0833 Cl  0  0  0  0  0
   -5.1312    1.3430   -0.8325 Cl  0  0  0  0  0
    4.2252    0.1142    1.9105 H   0  0  0  0  0
    5.1330   -0.0094    0.3504 H   0  0  0  0  0
    4.4642   -1.4853    1.0971 H   0  0  0  0  0
    1.7751   -0.2918    1.9135 H   0  0  0  0  0
    2.1537   -1.8859    1.1852 H   0  0  0  0  0
   -0.4949    0.2973    1.6386 H   0  0  0  0  0
   -2.6090    0.2547    0.3715 H   0  0  0  0  0
   -2.7363   -0.9163   -1.8102 H   0  0  0  0  0
   -0.7360   -2.0651   -2.7189 H   0  0  0  0  0
    1.3930   -2.0399   -1.4585 H   0  0  0  0  0
    3.7702    1.6751   -0.4763 H   0  0  0  0  0
    2.5475    1.7645    0.8400 H   0  0  0  0  0
    2.6018    0.3896   -2.9077 H   0  0  0  0  0
    0.3887    2.6641   -0.1117 H   0  0  0  0  0
   -1.4790    3.7368   -0.5096 H   0  0  0  0  0
   -3.6335    4.7880   -1.0136 H   0  0  0  0  0
   -3.5897    3.0684   -4.9461 H   0  0  0  0  0
   -1.4214    2.0028   -4.4724 H   0  0  0  0  0
    1.8091    2.5670    6.1480 H   0  0  0  0  0
   -5.7135    2.2418   -1.6945 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 42  1  0  0  0
 23 43  1  0  0  0
 24 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL555009

>  <PubChem CID>
45264568

>  <Formula>
C18H20Cl2FN3

>  <Molecular Weight>
368.277000

>  <IUPAC Name>
N-[[2-(4-fluorophenyl)-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)F.Cl.Cl

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

>  <InChI Std. ID>
InChI=1S/C18H18FN3.2ClH/c1-22(12-14-5-3-2-4-6-14)13-17-11-20-18(21-17)15-7-9-16(19)10-8-15;;/h2-11H,12-13H2,1H3,(H,20,21);2*1H

>  <InChI Key>
PTQDHMXKOIYIPY-UHFFFAOYSA-N

