-ISIS-  08091621332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.7417   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.2375    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.1417   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5042   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7792   -1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3792   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2667   -0.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6917   -2.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    2.3833    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  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  2  0  0  0  0
 13  1  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
  4  5  2  0  0  0  0
 11  8  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <ID> (BBL000189)
BBL000189

>  <Rotatable_Bonds> (BBL000189)
2

>  <logP> (BBL000189)
3.561

>  <PSA> (BBL000189)
55.12

>  <H_Donors> (BBL000189)
1

>  <H_Acceptors> (BBL000189)
2

>  <Number_of_rings> (BBL000189)
3

>  <NAME> (BBL000189)
2-methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid

>  <Mol_Weight> (BBL000189)
252.27

>  <Mol_Formula> (BBL000189)
C15H12N2O2

>  <Smiles> (BBL000189)
OC(=O)c1ccc2c(c1)nc(n2c1ccccc1)C

>  <CAS_Number> (BBL000189)
92437-43-9

>  <Alternative_identifier> (BBL000189)
MFCD00218479

$$$$