-ISIS-  08091621332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.1333    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    2.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    0.7917    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3958    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1333    1.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4958   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667   -2.5958    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
  5  4  1  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <ID> (BBL000033)
BBL000033

>  <Rotatable_Bonds> (BBL000033)
3

>  <logP> (BBL000033)
2.574

>  <PSA> (BBL000033)
43.84

>  <H_Donors> (BBL000033)
2

>  <H_Acceptors> (BBL000033)
0

>  <Number_of_rings> (BBL000033)
2

>  <NAME> (BBL000033)
1-butyl-1H-benzimidazol-2-amine

>  <Mol_Weight> (BBL000033)
189.26

>  <Mol_Formula> (BBL000033)
C11H15N3

>  <Smiles> (BBL000033)
CCCCn1c(N)nc2c1cccc2

>  <CAS_Number> (BBL000033)
91337-45-0

>  <Alternative_identifier> (BBL000033)
MFCD00159973

$$$$