
 ST 91

 35 36  0  0  0  0  0  0  0  0999 V2000
    1.5940   -0.0502    1.4905 C   0  0  0  0  0
    2.2877    0.2149    0.1627 C   0  0  0  0  0
    2.9322    1.5864    0.1349 C   0  0  0  0  0
    4.2708    1.7926    0.5544 C   0  0  0  0  0
    4.8129    3.0994    0.5054 C   0  0  0  0  0
    3.9983    4.1685    0.0860 C   0  0  0  0  0
    2.6766    3.9613   -0.2943 C   0  0  0  0  0
    2.1461    2.6779   -0.2688 C   0  0  0  0  0
    6.2594    3.4172    0.8204 C   0  0  0  0  0
    7.1587    3.2578   -0.3949 C   0  0  0  0  0
    5.0671    0.6553    0.8183 N   0  0  0  0  0
    5.7766    0.3965    1.9402 C   0  0  0  0  0
    6.8818   -0.3035    1.9429 N   0  0  0  0  0
    7.2666   -0.3510    3.3835 C   0  0  0  0  0
    6.3982    0.6938    4.0924 C   0  0  0  0  0
    5.3244    0.8487    3.1414 N   0  0  0  0  0
    1.1339   -1.0438    1.4862 H   0  0  0  0  0
    0.8043    0.6858    1.6802 H   0  0  0  0  0
    2.3002   -0.0061    2.3269 H   0  0  0  0  0
    1.5569    0.1403   -0.6524 H   0  0  0  0  0
    3.0261   -0.5692   -0.0381 H   0  0  0  0  0
    4.4039    5.1772    0.0335 H   0  0  0  0  0
    2.0651    4.7972   -0.6221 H   0  0  0  0  0
    1.1128    2.5250   -0.5737 H   0  0  0  0  0
    6.6315    2.8068    1.6452 H   0  0  0  0  0
    6.3310    4.4496    1.1859 H   0  0  0  0  0
    7.1561    2.2264   -0.7636 H   0  0  0  0  0
    8.1897    3.5240   -0.1375 H   0  0  0  0  0
    6.8371    3.9099   -1.2149 H   0  0  0  0  0
    5.5405    0.3242   -0.0157 H   0  0  0  0  0
    7.0688   -1.3576    3.7684 H   0  0  0  0  0
    8.3322   -0.1339    3.5034 H   0  0  0  0  0
    6.9432    1.6361    4.2070 H   0  0  0  0  0
    6.0491    0.3525    5.0696 H   0  0  0  0  0
    4.8318    1.7317    3.1241 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
M  END

>  <Chemical Name>
ST 91

>  <PubChem CID>
20864

>  <Formula>
C13H19N3

>  <Molecular Weight>
217.316000

>  <IUPAC Name>
N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine

>  <XlogP>
2.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCC1=C(C(=CC=C1)CC)NC2=NCCN2

>  <Isomeric SMILES>
CCC1=C(C(=CC=C1)CC)NC2=NCCN2

>  <InChI Std. ID>
InChI=1S/C13H19N3/c1-3-10-6-5-7-11(4-2)12(10)16-13-14-8-9-15-13/h5-7H,3-4,8-9H2,1-2H3,(H2,14,15,16)

>  <InChI Key>
IALHTUPVRAQZFI-UHFFFAOYSA-N

