
 SMR000028501

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.0193    2.2193    2.9310 C   0  0  0  0  0
    0.8419    3.1608    1.9135 C   0  0  0  0  0
   -0.1160    2.9619    0.9118 C   0  0  0  0  0
   -0.8906    1.7937    0.9460 C   0  0  0  0  0
   -0.6839    0.8684    1.9644 C   0  0  0  0  0
    0.2567    1.0457    2.9809 C   0  0  0  0  0
   -1.5719   -0.1375    1.6848 N   0  0  0  0  0
   -2.2685    0.2125    0.5581 C   0  0  0  0  0
   -1.8829    1.3759    0.0922 N   0  0  0  0  0
   -3.2568   -0.5444   -0.0109 N   0  0  0  0  0
   -3.6090   -1.7903    0.4526 C   0  0  0  0  0
   -3.0452   -2.3946    1.3625 O   0  0  0  0  0
   -4.7557   -2.4186   -0.2587 C   0  0  0  0  0
   -4.7649   -3.8086   -0.4391 C   0  0  0  0  0
   -5.8258   -4.4172   -1.1125 C   0  0  0  0  0
   -6.8761   -3.6378   -1.5893 C   0  0  0  0  0
   -6.8888   -2.2603   -1.3993 C   0  0  0  0  0
   -5.8302   -1.6457   -0.7292 C   0  0  0  0  0
   -7.8925   -4.2222   -2.2338 F   0  0  0  0  0
    1.7682    2.4005    3.6996 H   0  0  0  0  0
    1.4532    4.0600    1.8964 H   0  0  0  0  0
   -0.2609    3.6880    0.1199 H   0  0  0  0  0
    0.3965    0.3145    3.7694 H   0  0  0  0  0
   -1.7108   -1.0011    2.1938 H   0  0  0  0  0
   -3.6714   -0.1397   -0.8382 H   0  0  0  0  0
   -3.9435   -4.4170   -0.0629 H   0  0  0  0  0
   -5.8431   -5.4918   -1.2673 H   0  0  0  0  0
   -7.7276   -1.6760   -1.7674 H   0  0  0  0  0
   -5.8694   -0.5728   -0.5597 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 15 16  2  0  0  0
 15 27  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 28  1  0  0  0
 18 29  1  0  0  0
M  END

>  <Chemical Name>
SMR000028501

>  <PubChem CID>
2583534

>  <Formula>
C14H10FN3O

>  <Molecular Weight>
255.252000

>  <IUPAC Name>
N-(1H-benzimidazol-2-yl)-4-fluorobenzamide

>  <XlogP>
2.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C14H10FN3O/c15-10-7-5-9(6-8-10)13(19)18-14-16-11-3-1-2-4-12(11)17-14/h1-8H,(H2,16,17,18,19)

>  <InChI Key>
BOYRIPHPOSSJNS-UHFFFAOYSA-N

