
 CHEMBL3793182

 51 54  0  0  0  0  0  0  0  0999 V2000
    2.2698    3.7721   -1.7256 C   0  0  0  0  0
    1.9039    3.1188   -0.3999 C   0  0  0  0  0
    2.9916    3.2706    0.6650 C   0  0  0  0  0
    4.2433    2.5271    0.3187 C   0  0  0  0  0
    4.3117    1.2299    0.0937 N   0  0  0  0  0
    5.6253    0.9652   -0.1882 C   0  0  0  0  0
    6.3935    2.1190   -0.1275 C   0  0  0  0  0
    5.4897    3.1063    0.1945 N   0  0  0  0  0
    5.7810    4.5113    0.3474 C   0  0  0  0  0
    7.7809    2.1130   -0.3649 C   0  0  0  0  0
    8.4170    0.8938   -0.6939 C   0  0  0  0  0
    7.6232   -0.2638   -0.7647 C   0  0  0  0  0
    6.2406   -0.2478   -0.5100 C   0  0  0  0  0
    9.8475    0.8596   -0.9695 N   0  0  0  0  0
   10.5229    2.0100   -1.3847 C   0  0  0  0  0
   11.8352    2.0272   -1.6450 C   0  0  0  0  0
   12.6223    0.8325   -1.5262 C   0  0  0  0  0
   12.0303   -0.3044   -1.1396 C   0  0  0  0  0
   10.5762   -0.3433   -0.8034 C   0  0  0  0  0
   10.1561   -1.4184   -0.3789 O   0  0  0  0  0
   13.9409    1.0234   -1.8560 O   0  0  0  0  0
   14.7994   -0.1161   -1.8307 C   0  0  0  0  0
   16.1877    0.3295   -2.2195 C   0  0  0  0  0
   17.1080    0.7274   -1.2363 C   0  0  0  0  0
   18.3897    1.1454   -1.5975 C   0  0  0  0  0
   18.7483    1.1755   -2.9397 C   0  0  0  0  0
   17.8475    0.8015   -3.9295 C   0  0  0  0  0
   16.5651    0.3828   -3.5711 C   0  0  0  0  0
   19.9794    1.5758   -3.2847 F   0  0  0  0  0
    1.4274    3.7057   -2.4221 H   0  0  0  0  0
    3.1276    3.2775   -2.1922 H   0  0  0  0  0
    2.5137    4.8306   -1.5887 H   0  0  0  0  0
    1.6780    2.0594   -0.5691 H   0  0  0  0  0
    0.9836    3.5834   -0.0259 H   0  0  0  0  0
    2.6140    2.8684    1.6129 H   0  0  0  0  0
    3.1841    4.3345    0.8370 H   0  0  0  0  0
    5.4539    4.8296    1.3398 H   0  0  0  0  0
    5.2459    5.0596   -0.4319 H   0  0  0  0  0
    6.8525    4.6916    0.2482 H   0  0  0  0  0
    8.3379    3.0328   -0.2481 H   0  0  0  0  0
    8.0430   -1.2239   -1.0530 H   0  0  0  0  0
    5.6532   -1.1571   -0.5705 H   0  0  0  0  0
    9.9527    2.9172   -1.5381 H   0  0  0  0  0
   12.3250    2.9364   -1.9771 H   0  0  0  0  0
   12.5434   -1.2492   -1.0256 H   0  0  0  0  0
   14.4476   -0.8761   -2.5395 H   0  0  0  0  0
   14.8245   -0.5578   -0.8267 H   0  0  0  0  0
   16.8291    0.7156   -0.1848 H   0  0  0  0  0
   19.1078    1.4501   -0.8429 H   0  0  0  0  0
   18.1480    0.8413   -4.9714 H   0  0  0  0  0
   15.8600    0.1011   -4.3502 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 35  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6 13  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 11  2  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 19  1  0  0  0
 15 16  2  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  2  0  0  0
 25 49  1  0  0  0
 26 27  1  0  0  0
 26 29  1  0  0  0
 27 28  2  0  0  0
 27 50  1  0  0  0
 28 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3793182

>  <PubChem CID>
89691535

>  <Formula>
C23H22FN3O2

>  <Molecular Weight>
391.446000

>  <IUPAC Name>
4-[(4-fluorophenyl)methoxy]-1-(3-methyl-2-propylbenzimidazol-5-yl)pyridin-2-one

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCC1=NC2=C(N1C)C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F

>  <Isomeric SMILES>
CCCC1=NC2=C(N1C)C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C23H22FN3O2/c1-3-4-22-25-20-10-9-18(13-21(20)26(22)2)27-12-11-19(14-23(27)28)29-15-16-5-7-17(24)8-6-16/h5-14H,3-4,15H2,1-2H3

>  <InChI Key>
FJNVAWAOWNBJEP-UHFFFAOYSA-N

