
 CHEMBL9936

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.0833   -0.9790    0.5631 C   0  0  0  0  0
    2.0886    0.2201    1.3280 O   0  0  0  0  0
    2.7776    1.2787    0.8063 C   0  0  0  0  0
    2.8626    2.3949    1.6378 C   0  0  0  0  0
    3.5540    3.5434    1.2300 C   0  0  0  0  0
    4.1699    3.6143   -0.0294 C   0  0  0  0  0
    4.0543    2.4835   -0.8601 C   0  0  0  0  0
    3.3742    1.3290   -0.4495 C   0  0  0  0  0
    4.9086    4.8192   -0.4729 C   0  0  0  0  0
    4.4929    6.1158   -0.1277 C   0  0  0  0  0
    5.1852    7.2507   -0.5762 C   0  0  0  0  0
    6.3067    7.1322   -1.4032 C   0  0  0  0  0
    6.7349    5.8468   -1.7396 C   0  0  0  0  0
    6.0578    4.7134   -1.2732 C   0  0  0  0  0
    6.9216    8.2985   -1.8909 N   0  0  0  0  0
    7.7205    8.4237   -2.9812 C   0  0  0  0  0
    8.6654    9.3188   -3.0941 N   0  0  0  0  0
    9.2057    9.0885   -4.4646 C   0  0  0  0  0
    8.1639    8.2348   -5.1918 C   0  0  0  0  0
    7.4625    7.6505   -4.0744 N   0  0  0  0  0
    1.5429   -1.7390    1.1352 H   0  0  0  0  0
    3.1009   -1.3482    0.3977 H   0  0  0  0  0
    1.5547   -0.8384   -0.3859 H   0  0  0  0  0
    2.3950    2.3703    2.6196 H   0  0  0  0  0
    3.6142    4.3775    1.9246 H   0  0  0  0  0
    4.4891    2.4890   -1.8579 H   0  0  0  0  0
    3.3284    0.4943   -1.1400 H   0  0  0  0  0
    3.6020    6.2665    0.4787 H   0  0  0  0  0
    4.8146    8.2352   -0.3002 H   0  0  0  0  0
    7.6204    5.7043   -2.3549 H   0  0  0  0  0
    6.4543    3.7374   -1.5464 H   0  0  0  0  0
    7.1375    8.9679   -1.1632 H   0  0  0  0  0
    9.3699   10.0398   -4.9800 H   0  0  0  0  0
   10.1630    8.5619   -4.3858 H   0  0  0  0  0
    8.6162    7.4806   -5.8418 H   0  0  0  0  0
    7.4849    8.8625   -5.7786 H   0  0  0  0  0
    6.4803    7.4454   -4.2101 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8 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 15  1  0  0  0
 13 14  2  0  0  0
 13 30  1  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 18 34  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL9936

>  <PubChem CID>
11230941

>  <Formula>
C16H17N3O

>  <Molecular Weight>
267.332000

>  <IUPAC Name>
N-[4-(4-methoxyphenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine

>  <XlogP>
2.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC=C(C=C1)C2=CC=C(C=C2)NC3=NCCN3

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C2=CC=C(C=C2)NC3=NCCN3

>  <InChI Std. ID>
InChI=1S/C16H17N3O/c1-20-15-8-4-13(5-9-15)12-2-6-14(7-3-12)19-16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H2,17,18,19)

>  <InChI Key>
DPMNXUMBLNIHFU-UHFFFAOYSA-N

