2-[2-[[2-(1H-Benzimidazol-2-yl)ethyl]amino]ethyl]-N-[(3-fluoro-2-pyridinyl)me...
C21H21FN6O2
2095668-10-1 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  30 33 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 15.8513 7.5676 0.0 0
M  V30 2 C 14.6054 6.6624 0.0 0
M  V30 3 N 13.1985 7.2887 0.0 0
M  V30 4 C 11.9526 6.3835 0.0 0
M  V30 5 C 10.5458 7.0100 0.0 0
M  V30 6 C 5.3900 5.3347 0.0 0
M  V30 7 N 4.6200 4.0009 0.0 0
M  V30 8 O 4.6200 6.6684 0.0 0
M  V30 9 C 3.0800 4.0009 0.0 0
M  V30 10 F 0.0000 4.0009 0.0 0
M  V30 11 C 19.1100 5.2739 0.0 0
M  V30 12 C 19.7363 6.6807 0.0 0
M  V30 13 N 17.5783 5.4348 0.0 0
M  V30 14 C 20.0150 4.0279 0.0 0
M  V30 15 N 18.5919 7.7111 0.0 0
M  V30 16 C 21.2678 6.8416 0.0 0
M  V30 17 C 17.2581 6.9411 0.0 0
M  V30 18 C 21.5467 4.1890 0.0 0
M  V30 19 C 22.1730 5.5958 0.0 0
M  V30 20 C 9.2998 6.1047 0.0 0
M  V30 21 N 7.8353 6.5806 0.0 0
M  V30 22 O 9.2998 4.5647 0.0 0
M  V30 23 C 6.9300 5.3347 0.0 0
M  V30 24 C 7.8353 4.0889 0.0 0
M  V30 25 C 2.3100 2.6673 0.0 0
M  V30 26 C 0.7700 2.6673 0.0 0
M  V30 27 N 3.0800 1.3336 0.0 0
M  V30 28 C 0.0000 1.3336 0.0 0
M  V30 29 C 2.3100 0.0000 0.0 0
M  V30 30 C 0.7700 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 17
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 20
M  V30 7 1 6 7
M  V30 8 2 6 8
M  V30 9 1 6 23
M  V30 10 1 7 9
M  V30 11 1 9 25
M  V30 12 1 10 26
M  V30 13 1 11 12
M  V30 14 1 11 13
M  V30 15 2 11 14
M  V30 16 1 12 15
M  V30 17 2 12 16
M  V30 18 1 13 17
M  V30 19 1 14 18
M  V30 20 2 15 17
M  V30 21 1 16 19
M  V30 22 2 18 19
M  V30 23 2 20 21
M  V30 24 1 20 22
M  V30 25 1 21 23
M  V30 26 1 22 24
M  V30 27 2 23 24
M  V30 28 2 25 26
M  V30 29 1 25 27
M  V30 30 1 26 28
M  V30 31 2 27 29
M  V30 32 2 28 30
M  V30 33 1 29 30
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2095668-10-1

> <cas.index.name>
4-Oxazolecarboxamide, 2-[2-[[2-(1H-benzimidazol-2-yl)ethyl]amino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-

> <molecular.formula>
C21H21FN6O2

> <molecular.weight>
408.43

> <boiling.point.predicted>
727.8±60.0 °C    Press: 760 Torr

> <density.predicted>
1.339±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
11.87±0.46    Most Acidic Temp: 25 °C

$$$$
