
 MLS000092863

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.6139    4.2789   -1.1115 C   0  0  0  0  0
    4.8985    4.5659   -1.5760 C   0  0  0  0  0
    5.9192    3.6281   -1.4240 C   0  0  0  0  0
    5.6521    2.4102   -0.8028 C   0  0  0  0  0
    4.3717    2.1112   -0.3372 C   0  0  0  0  0
    3.3471    3.0503   -0.5004 C   0  0  0  0  0
    4.0544    0.8051    0.2986 C   0  0  0  0  0
    2.9121    0.3582    0.2106 O   0  0  0  0  0
    5.0831    0.1932    0.9764 N   0  0  0  0  0
    4.9623   -1.0425    1.5524 C   0  0  0  0  0
    5.9113   -1.6375    2.2362 N   0  0  0  0  0
    5.3947   -2.8650    2.5774 C   0  0  0  0  0
    5.9788   -3.9128    3.3036 C   0  0  0  0  0
    5.2451   -5.0915    3.4900 C   0  0  0  0  0
    3.9567   -5.2235    2.9657 C   0  0  0  0  0
    3.3507   -4.1837    2.2502 C   0  0  0  0  0
    4.1032   -3.0195    2.0829 C   0  0  0  0  0
    3.8422   -1.8275    1.4615 N   0  0  0  0  0
    6.6572    1.5315   -0.6738 F   0  0  0  0  0
    2.8172    5.0105   -1.2297 H   0  0  0  0  0
    5.1026    5.5188   -2.0595 H   0  0  0  0  0
    6.9203    3.8361   -1.7893 H   0  0  0  0  0
    2.3401    2.8325   -0.1485 H   0  0  0  0  0
    5.9997    0.6182    1.0578 H   0  0  0  0  0
    6.9815   -3.8054    3.7024 H   0  0  0  0  0
    5.6887   -5.9139    4.0461 H   0  0  0  0  0
    3.4119   -6.1529    3.1168 H   0  0  0  0  0
    2.3504   -4.2847    1.8437 H   0  0  0  0  0
    2.9962   -1.5517    0.9793 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  5  1  0  0  0
  4 19  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 23  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 10 18  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  2  0  0  0
 14 26  1  0  0  0
 15 16  1  0  0  0
 15 27  1  0  0  0
 16 17  2  0  0  0
 16 28  1  0  0  0
 17 18  1  0  0  0
 18 29  1  0  0  0
M  END

>  <Chemical Name>
MLS000092863

>  <PubChem CID>
2166675

>  <Formula>
C14H10FN3O

>  <Molecular Weight>
255.252000

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

>  <XlogP>
2.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3N2)F

>  <Isomeric SMILES>
C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3N2)F

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

>  <InChI Key>
ITZFDVKRXPWZSX-UHFFFAOYSA-N

