
 CHEMBL492445

 37 40  0  0  0  0  0  0  0  0999 V2000
   -1.0256    0.2494    1.0107 C   0  0  0  0  0
   -0.5208   -0.8976    0.1282 C   0  0  0  0  0
    0.7505   -0.4226   -0.4949 N   0  0  0  0  0
    1.0536    0.6549    0.1864 C   0  0  0  0  0
    0.1902    1.0017    1.2008 N   0  0  0  0  0
    2.2875    1.4790   -0.1337 C   0  0  0  0  0
    3.4727    0.9307    0.6451 C   0  0  0  0  0
    4.6697    1.6509    0.3174 O   0  0  0  0  0
    4.4507    3.0034    0.2843 C   0  0  0  0  0
    3.1786    3.5770    0.2639 C   0  0  0  0  0
    2.0221    2.8387    0.2421 O   0  0  0  0  0
    3.0349    4.9666    0.2721 C   0  0  0  0  0
    4.1554    5.8166    0.2544 C   0  0  0  0  0
    5.4275    5.2112    0.2380 C   0  0  0  0  0
    5.5750    3.8196    0.2576 C   0  0  0  0  0
    4.0055    7.2888    0.2460 C   0  0  0  0  0
    2.9969    7.9187   -0.5078 C   0  0  0  0  0
    2.8515    9.3095   -0.5133 C   0  0  0  0  0
    3.7185   10.1048    0.2295 C   0  0  0  0  0
    4.7271    9.5094    0.9801 C   0  0  0  0  0
    4.8648    8.1176    0.9907 C   0  0  0  0  0
   -1.7665    0.8545    0.4782 H   0  0  0  0  0
   -1.4512   -0.1041    1.9534 H   0  0  0  0  0
   -1.2522   -1.1574   -0.6431 H   0  0  0  0  0
   -0.3080   -1.7918    0.7247 H   0  0  0  0  0
    0.1166    1.9972    1.3929 H   0  0  0  0  0
    2.4669    1.4427   -1.2164 H   0  0  0  0  0
    3.6456   -0.1239    0.4052 H   0  0  0  0  0
    3.3151    1.0005    1.7294 H   0  0  0  0  0
    2.0294    5.3823    0.2903 H   0  0  0  0  0
    6.3267    5.8226    0.2000 H   0  0  0  0  0
    6.5677    3.3779    0.2552 H   0  0  0  0  0
    2.3155    7.3278   -1.1154 H   0  0  0  0  0
    2.0627    9.7689   -1.1029 H   0  0  0  0  0
    3.6086   11.1858    0.2227 H   0  0  0  0  0
    5.4075   10.1255    1.5629 H   0  0  0  0  0
    5.6523    7.6832    1.6036 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  9 15  1  0  0  0
  9 10  2  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 12 13  2  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 31  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 19  2  0  0  0
 18 34  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 20 21  2  0  0  0
 20 36  1  0  0  0
 21 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL492445

>  <PubChem CID>
24906203

>  <Formula>
C17H16N2O2

>  <Molecular Weight>
280.327000

>  <IUPAC Name>
2-(6-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN=C(N1)C2COC3=C(O2)C=C(C=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN=C(N1)C2COC3=C(O2)C=C(C=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C17H16N2O2/c1-2-4-12(5-3-1)13-6-7-14-15(10-13)21-16(11-20-14)17-18-8-9-19-17/h1-7,10,16H,8-9,11H2,(H,18,19)

>  <InChI Key>
CENDKGWAICPCEX-UHFFFAOYSA-N

