
 CHEMBL1784127

 49 52  0  0  0  0  0  0  0  0999 V2000
    5.5646    2.0760    2.4238 C   0  0  0  0  0
    5.5772    2.5816    0.9882 C   0  0  0  0  0
    4.2403    2.5755    0.3980 N   0  0  0  0  0
    3.4487    3.7130    0.5053 C   0  0  0  0  0
    2.1954    3.7450    0.0209 C   0  0  0  0  0
    1.6566    2.5679   -0.6244 C   0  0  0  0  0
    2.3927    1.4537   -0.7374 C   0  0  0  0  0
    3.7751    1.4004   -0.1923 C   0  0  0  0  0
    4.4162    0.3577   -0.2851 O   0  0  0  0  0
    1.3865    4.9899    0.2171 C   0  0  0  0  0
    1.9641    6.1626    0.3474 N   0  0  0  0  0
    0.8405    7.1435    0.5436 C   0  0  0  0  0
   -0.4796    6.3745    0.1303 C   0  0  0  0  0
    0.0128    5.0056    0.2449 N   0  0  0  0  0
   -1.6358    6.6258    1.1152 C   0  0  0  0  0
   -1.9504    5.7107    2.1422 C   0  0  0  0  0
   -3.0035    5.9537    3.0271 C   0  0  0  0  0
   -3.7550    7.1123    2.8971 C   0  0  0  0  0
   -3.4614    8.0432    1.9100 C   0  0  0  0  0
   -2.3992    7.8105    1.0325 C   0  0  0  0  0
   -4.7720    7.3382    3.7384 F   0  0  0  0  0
   -0.8756    6.5453   -1.3526 C   0  0  0  0  0
   -2.1774    6.2845   -1.7946 C   0  0  0  0  0
   -2.6011    6.3935   -3.0766 N   0  0  0  0  0
   -1.6812    6.7589   -3.9882 C   0  0  0  0  0
   -0.3569    6.9999   -3.6841 C   0  0  0  0  0
    0.0497    6.8821   -2.3556 C   0  0  0  0  0
   -2.0800    6.8797   -5.2614 F   0  0  0  0  0
    0.9481    7.6353    1.9895 C   0  0  0  0  0
    6.5762    2.0903    2.8403 H   0  0  0  0  0
    5.1870    1.0499    2.4781 H   0  0  0  0  0
    4.9249    2.7008    3.0551 H   0  0  0  0  0
    6.2347    1.9428    0.3867 H   0  0  0  0  0
    5.9896    3.5957    0.9462 H   0  0  0  0  0
    3.8867    4.5685    1.0114 H   0  0  0  0  0
    0.6572    2.5947   -1.0394 H   0  0  0  0  0
    2.0305    0.5553   -1.2190 H   0  0  0  0  0
    1.0090    8.0115   -0.1043 H   0  0  0  0  0
   -0.5029    4.2859   -0.2407 H   0  0  0  0  0
   -1.3664    4.8027    2.2793 H   0  0  0  0  0
   -3.2372    5.2472    3.8179 H   0  0  0  0  0
   -4.0616    8.9452    1.8302 H   0  0  0  0  0
   -2.1825    8.5607    0.2729 H   0  0  0  0  0
   -2.9619    5.9638   -1.1119 H   0  0  0  0  0
    0.3413    7.2659   -4.4686 H   0  0  0  0  0
    1.1018    7.0414   -2.1276 H   0  0  0  0  0
    0.8221    6.8191    2.7086 H   0  0  0  0  0
    0.2121    8.4162    2.2041 H   0  0  0  0  0
    1.9395    8.0671    2.1665 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
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 11 12  1  0  0  0
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 15 16  2  0  0  0
 15 20  1  0  0  0
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 22 23  2  0  0  0
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 24 25  2  0  0  0
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 29 47  1  0  0  0
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 29 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1784127

>  <PubChem CID>
10363209

>  <Formula>
C22H20F2N4O

>  <Molecular Weight>
394.426000

>  <IUPAC Name>
1-ethyl-5-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoropyridin-3-yl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN1C=C(C=CC1=O)C2=NC(C(N2)(C3=CC=C(C=C3)F)C4=CN=C(C=C4)F)C

>  <Isomeric SMILES>
CCN1C=C(C=CC1=O)C2=N[C@H]([C@](N2)(C3=CC=C(C=C3)F)C4=CN=C(C=C4)F)C

>  <InChI Std. ID>
InChI=1S/C22H20F2N4O/c1-3-28-13-15(4-11-20(28)29)21-26-14(2)22(27-21,16-5-8-18(23)9-6-16)17-7-10-19(24)25-12-17/h4-14H,3H2,1-2H3,(H,26,27)/t14-,22-/m0/s1

>  <InChI Key>
AGILSCYONDSASQ-FPTDNZKUSA-N

