
 ABT-724

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.4878    1.1334   -0.2128 C   0  0  0  0  0
   -0.9944    1.1722    0.2474 C   0  0  0  0  0
   -1.7292   -0.0555   -0.1146 N   0  0  0  0  0
   -0.9949   -1.3044    0.1786 C   0  0  0  0  0
    0.4835   -1.2572   -0.2729 C   0  0  0  0  0
    1.2562   -0.0721    0.1946 N   0  0  0  0  0
    1.4595   -0.0807    1.6569 C   0  0  0  0  0
    2.2580   -1.2531    2.1313 C   0  0  0  0  0
    1.8857   -2.1505    3.0229 N   0  0  0  0  0
    2.9292   -3.0381    3.1077 C   0  0  0  0  0
    3.0607   -4.1900    3.8959 C   0  0  0  0  0
    4.2398   -4.9388    3.7987 C   0  0  0  0  0
    5.2657   -4.5476    2.9343 C   0  0  0  0  0
    5.1510   -3.4015    2.1373 C   0  0  0  0  0
    3.9647   -2.6739    2.2540 C   0  0  0  0  0
    3.5089   -1.5366    1.6391 N   0  0  0  0  0
   -2.2933    0.0009   -1.3995 C   0  0  0  0  0
   -3.3951    0.8338   -1.6098 C   0  0  0  0  0
   -3.9921    0.8961   -2.8668 C   0  0  0  0  0
   -3.4724    0.1286   -3.8967 C   0  0  0  0  0
   -2.3835   -0.6753   -3.6148 C   0  0  0  0  0
   -1.7973   -0.7578   -2.3988 N   0  0  0  0  0
    0.5187    1.1973   -1.3088 H   0  0  0  0  0
    1.0010    2.0343    0.1460 H   0  0  0  0  0
   -1.4720    2.0742   -0.1554 H   0  0  0  0  0
   -1.0372    1.2818    1.3374 H   0  0  0  0  0
   -1.0346   -1.4648    1.2629 H   0  0  0  0  0
   -1.4970   -2.1767   -0.2599 H   0  0  0  0  0
    0.9810   -2.1863    0.0282 H   0  0  0  0  0
    0.5318   -1.2641   -1.3688 H   0  0  0  0  0
    0.5156   -0.0585    2.2120 H   0  0  0  0  0
    2.0110    0.8245    1.9430 H   0  0  0  0  0
    2.2582   -4.4866    4.5617 H   0  0  0  0  0
    4.3539   -5.8354    4.4032 H   0  0  0  0  0
    6.1720   -5.1473    2.8779 H   0  0  0  0  0
    5.9466   -3.1010    1.4650 H   0  0  0  0  0
    3.9783   -1.0101    0.9163 H   0  0  0  0  0
   -3.8058    1.4073   -0.7851 H   0  0  0  0  0
   -4.8584    1.5294   -3.0303 H   0  0  0  0  0
   -3.9081    0.1478   -4.8885 H   0  0  0  0  0
   -1.9366   -1.2997   -4.3828 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 16  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
M  END

>  <Chemical Name>
ABT-724

>  <PubChem CID>
5025739

>  <Formula>
C17H19N5

>  <Molecular Weight>
293.374000

>  <IUPAC Name>
2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4

>  <Isomeric SMILES>
C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)

>  <InChI Key>
FRPJGTNLZNXQEX-UHFFFAOYSA-N

