-ISIS-  08091621332D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.3958   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1417    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6458    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  2  0  0  0  0
  5  4  2  0  0  0  0
  9 11  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <ID> (BBL000250)
BBL000250

>  <Rotatable_Bonds> (BBL000250)
0

>  <logP> (BBL000250)
3.707

>  <PSA> (BBL000250)
28.68

>  <H_Donors> (BBL000250)
1

>  <H_Acceptors> (BBL000250)
0

>  <Number_of_rings> (BBL000250)
3

>  <NAME> (BBL000250)
2-(4-methylphenyl)-1H-benzimidazole

>  <Mol_Weight> (BBL000250)
208.26

>  <Mol_Formula> (BBL000250)
C14H12N2

>  <Smiles> (BBL000250)
Cc1ccc(cc1)c1nc2c([nH]1)cccc2

>  <CAS_Number> (BBL000250)
120-03-6

>  <Alternative_identifier> (BBL000250)
MFCD00209485

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