5,6-Dibromo-1-(1-methylethyl)-4-nitro-2-(4-piperidinyl)-1H-benzimidazole
C15H18Br2N4O2
1616359-00-2 Copyright (C) 2024 ACS
 23 25  0  0  0  0  0  0  0  0999 V2000
    2.6674    6.9350    0.0000 N   0  0  0  0  0  5  0  0  0  0  0  0
    4.0011    7.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    7.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417    1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4479    0.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9112    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3950    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3149    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    3.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    5.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4658    5.1008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4658    2.6091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    2.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3710    3.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    3.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9110    3.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6810    5.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6810    2.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2210    5.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2210    2.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9910    3.8549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <cas.rn>
1616359-00-2

> <cas.index.name>
1H-Benzimidazole, 5,6-dibromo-1-(1-methylethyl)-4-nitro-2-(4-piperidinyl)-

> <molecular.formula>
C15H18Br2N4O2

> <molecular.weight>
446.14

> <boiling.point.predicted>
533.180±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.878±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.766±0.10    Most Basic Temp: 25 °C

$$$$
