
 CHEMBL1794814

 40 42  0  0  0  0  0  0  0  0999 V2000
    3.3575    0.1906    2.0600 C   0  0  0  0  0
    3.3319    0.2180    0.5941 N   0  0  0  0  0
    2.1244   -0.4544    0.0610 C   0  0  0  0  0
    0.7851    0.1303    0.4702 C   0  0  0  0  0
    0.1959    1.1683   -0.2679 C   0  0  0  0  0
   -1.0011    1.7506    0.1535 C   0  0  0  0  0
   -1.6310    1.2937    1.3095 C   0  0  0  0  0
   -1.0723    0.2455    2.0375 C   0  0  0  0  0
    0.1256   -0.3357    1.6185 C   0  0  0  0  0
    3.4533    1.5870    0.0713 C   0  0  0  0  0
    4.7973    2.1790    0.3022 C   0  0  0  0  0
    5.2028    3.4820    0.4749 C   0  0  0  0  0
    6.5604    3.5527    0.6370 N   0  0  0  0  0
    7.0037    2.3089    0.5936 C   0  0  0  0  0
    5.9575    1.4496    0.3544 N   0  0  0  0  0
    8.3978    1.8913    0.7404 C   0  0  0  0  0
    9.4188    2.7821    0.3840 C   0  0  0  0  0
   10.7501    2.4050    0.5141 C   0  0  0  0  0
   11.0958    1.1533    1.0080 C   0  0  0  0  0
   10.0916    0.2625    1.3819 C   0  0  0  0  0
    8.7478    0.6295    1.2475 C   0  0  0  0  0
   11.7174    3.2604    0.1572 F   0  0  0  0  0
    4.3266    0.5224    2.4465 H   0  0  0  0  0
    3.2258   -0.8337    2.4269 H   0  0  0  0  0
    2.5878    0.8257    2.5109 H   0  0  0  0  0
    2.1522   -1.5129    0.3540 H   0  0  0  0  0
    2.1792   -0.4826   -1.0360 H   0  0  0  0  0
    0.6744    1.5423   -1.1700 H   0  0  0  0  0
   -1.4384    2.5666   -0.4158 H   0  0  0  0  0
   -2.5570    1.7544    1.6427 H   0  0  0  0  0
   -1.5648   -0.1137    2.9371 H   0  0  0  0  0
    0.5525   -1.1464    2.2046 H   0  0  0  0  0
    2.6918    2.2497    0.4998 H   0  0  0  0  0
    3.3025    1.5781   -1.0170 H   0  0  0  0  0
    4.5894    4.3745    0.4868 H   0  0  0  0  0
    6.0130    0.4449    0.2548 H   0  0  0  0  0
    9.1807    3.7714    0.0015 H   0  0  0  0  0
   12.1428    0.8849    1.1046 H   0  0  0  0  0
   10.3530   -0.7131    1.7843 H   0  0  0  0  0
    7.9837   -0.0739    1.5688 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1794814

>  <PubChem CID>
10063099

>  <Formula>
C18H18FN3

>  <Molecular Weight>
295.361000

>  <IUPAC Name>
N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CC1=CC=CC=C1)CC2=CN=C(N2)C3=CC(=CC=C3)F

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

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

>  <InChI Key>
POINCCAWLOORMZ-UHFFFAOYSA-N

