
 CHEMBL492639

 38 39  0  0  0  0  0  0  0  0999 V2000
    1.1507    4.3547    1.7247 C   0  0  0  0  0
    2.1371    3.6952    2.6701 C   0  0  0  0  0
    3.0539    2.8783    1.9369 O   0  0  0  0  0
    4.1204    3.6819    1.5083 N   0  0  0  0  0
    4.9881    2.9595    0.8689 C   0  0  0  0  0
    6.2219    3.5603    0.3158 C   0  0  0  0  0
    6.4498    4.9302    0.5286 C   0  0  0  0  0
    7.5988    5.5390    0.0339 C   0  0  0  0  0
    8.5242    4.7826   -0.6746 C   0  0  0  0  0
    8.3045    3.4180   -0.8902 C   0  0  0  0  0
    7.1536    2.7867   -0.3981 C   0  0  0  0  0
    6.8624    1.4572   -0.5823 O   0  0  0  0  0
    7.8527    0.6246   -1.1882 C   0  0  0  0  0
    7.4769   -0.8259   -0.8995 C   0  0  0  0  0
    7.9190    0.7989   -2.7076 C   0  0  0  0  0
    9.0410    0.6356   -3.3658 N   0  0  0  0  0
    8.6612    0.8788   -4.7897 C   0  0  0  0  0
    7.1302    0.8281   -4.8425 C   0  0  0  0  0
    6.8087    1.0854   -3.4630 N   0  0  0  0  0
    0.4399    4.9762    2.2769 H   0  0  0  0  0
    0.5944    3.5982    1.1620 H   0  0  0  0  0
    1.6682    4.9818    0.9915 H   0  0  0  0  0
    1.6019    3.0459    3.3700 H   0  0  0  0  0
    2.6759    4.4447    3.2628 H   0  0  0  0  0
    4.8252    1.8764    0.7277 H   0  0  0  0  0
    5.7298    5.5288    1.0829 H   0  0  0  0  0
    7.7683    6.5993    0.2008 H   0  0  0  0  0
    9.4226    5.2523   -1.0681 H   0  0  0  0  0
    9.0593    2.8851   -1.4607 H   0  0  0  0  0
    8.8410    0.8006   -0.7438 H   0  0  0  0  0
    6.5000   -1.0747   -1.3291 H   0  0  0  0  0
    7.4047   -0.9972    0.1796 H   0  0  0  0  0
    8.2169   -1.5177   -1.3159 H   0  0  0  0  0
    9.0336    1.8659   -5.0900 H   0  0  0  0  0
    9.1091    0.1236   -5.4423 H   0  0  0  0  0
    6.7837   -0.1693   -5.1330 H   0  0  0  0  0
    6.7086    1.5745   -5.5203 H   0  0  0  0  0
    5.8963    0.8393   -3.0995 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  2  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL492639

>  <PubChem CID>
24906196

>  <Formula>
C14H19N3O2

>  <Molecular Weight>
261.325000

>  <IUPAC Name>
(E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCON=CC1=CC=CC=C1OC(C)C2=NCCN2

>  <Isomeric SMILES>
CCO/N=C/C1=CC=CC=C1OC(C)C2=NCCN2

>  <InChI Std. ID>
InChI=1S/C14H19N3O2/c1-3-18-17-10-12-6-4-5-7-13(12)19-11(2)14-15-8-9-16-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,15,16)/b17-10+

>  <InChI Key>
BVWLLEDYRCHASI-LICLKQGHSA-N

