
 CHEMBL222933

 36 39  0  0  0  0  0  0  0  0999 V2000
   -2.4913    1.4676   -0.7329 C   0  0  0  0  0
   -1.9298    0.0352   -0.7511 C   0  0  0  0  0
   -0.4455    0.1478   -0.5976 N   0  0  0  0  0
   -0.2871    1.4014   -0.2817 C   0  0  0  0  0
   -1.3904    2.1939   -0.1516 N   0  0  0  0  0
    1.0377    1.9803   -0.0491 C   0  0  0  0  0
    1.9640    2.4518   -1.1500 C   0  0  0  0  0
    1.1354    3.3666   -0.4162 O   0  0  0  0  0
    1.6839    2.2294   -2.6223 C   0  0  0  0  0
    1.5903    0.8934   -3.0817 C   0  0  0  0  0
    1.3754    0.5736   -4.4206 C   0  0  0  0  0
    1.2657    1.5872   -5.3563 C   0  0  0  0  0
    1.3701    2.9151   -4.9433 C   0  0  0  0  0
    1.5750    3.2701   -3.5869 C   0  0  0  0  0
    1.6745    4.7153   -3.2551 C   0  0  0  0  0
    2.7130    5.2323   -2.4631 C   0  0  0  0  0
    2.7973    6.5985   -2.1715 C   0  0  0  0  0
    1.8612    7.4850   -2.6952 C   0  0  0  0  0
    0.8355    7.0051   -3.5021 C   0  0  0  0  0
    0.7397    5.6357   -3.7696 C   0  0  0  0  0
   -2.6901    1.8236   -1.7487 H   0  0  0  0  0
   -3.4022    1.5465   -0.1332 H   0  0  0  0  0
   -2.1786   -0.4728   -1.6880 H   0  0  0  0  0
   -2.3266   -0.5544    0.0829 H   0  0  0  0  0
   -1.2558    3.1659   -0.4151 H   0  0  0  0  0
    1.5011    1.6819    0.8836 H   0  0  0  0  0
    3.0200    2.4476   -0.8907 H   0  0  0  0  0
    1.6813    0.0763   -2.3652 H   0  0  0  0  0
    1.3007   -0.4668   -4.7255 H   0  0  0  0  0
    1.1084    1.3522   -6.4048 H   0  0  0  0  0
    1.3063    3.6913   -5.7042 H   0  0  0  0  0
    3.4774    4.5734   -2.0605 H   0  0  0  0  0
    3.5992    6.9671   -1.5374 H   0  0  0  0  0
    1.9329    8.5469   -2.4764 H   0  0  0  0  0
    0.1072    7.6925   -3.9241 H   0  0  0  0  0
   -0.0813    5.2890   -4.3941 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  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  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 25  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  7 27  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL222933

>  <PubChem CID>
44421258

>  <Formula>
C17H16N2O

>  <Molecular Weight>
264.328000

>  <IUPAC Name>
2-[3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN=C(N1)C2C(O2)C3=CC=CC=C3C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN=C(N1)C2C(O2)C3=CC=CC=C3C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C17H16N2O/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)15-16(20-15)17-18-10-11-19-17/h1-9,15-16H,10-11H2,(H,18,19)

>  <InChI Key>
BTPMSDTWDTXFNP-UHFFFAOYSA-N

