
 CHEMBL11515

 52 54  0  0  0  0  0  0  0  0999 V2000
    5.1176   -1.5211    2.1005 C   0  0  0  0  0
    5.0485   -0.0100    2.2610 C   0  0  0  0  0
    5.2388    0.6296    0.9581 N   0  0  0  0  0
    5.1870    2.1002    1.0793 C   0  0  0  0  0
    5.4153    2.7976   -0.2793 C   0  0  0  0  0
    6.7782    2.5712   -0.8408 C   0  0  0  0  0
    7.6192    3.3402   -1.6126 C   0  0  0  0  0
    8.8143    2.6972   -1.8216 N   0  0  0  0  0
    8.7133    1.5430   -1.1969 C   0  0  0  0  0
    7.4707    1.4048   -0.6400 N   0  0  0  0  0
    9.7689    0.5001   -1.0450 C   0  0  0  0  0
   10.1667    0.3344    0.4289 C   0  0  0  0  0
   11.2891   -0.7047    0.6517 C   0  0  0  0  0
   12.6200   -0.4012   -0.0331 C   0  0  0  0  0
   13.0517    0.9056   -0.3145 C   0  0  0  0  0
   14.2702    1.1349   -0.9562 C   0  0  0  0  0
   15.0842    0.0637   -1.3130 C   0  0  0  0  0
   14.6844   -1.2380   -1.0219 C   0  0  0  0  0
   13.4641   -1.4690   -0.3842 C   0  0  0  0  0
   11.4322   -0.9677    2.1525 C   0  0  0  0  0
   12.2160   -0.1454    2.9786 C   0  0  0  0  0
   12.3030   -0.3867    4.3515 C   0  0  0  0  0
   11.5980   -1.4430    4.9224 C   0  0  0  0  0
   10.8048   -2.2604    4.1204 C   0  0  0  0  0
   10.7215   -2.0246    2.7459 C   0  0  0  0  0
    4.9682   -2.0107    3.0682 H   0  0  0  0  0
    6.0930   -1.8334    1.7117 H   0  0  0  0  0
    4.3434   -1.8849    1.4163 H   0  0  0  0  0
    5.8309    0.3083    2.9590 H   0  0  0  0  0
    4.0763    0.2645    2.6856 H   0  0  0  0  0
    4.4943    0.3280    0.3255 H   0  0  0  0  0
    5.9511    2.4389    1.7910 H   0  0  0  0  0
    4.2072    2.4028    1.4676 H   0  0  0  0  0
    5.2635    3.8755   -0.1425 H   0  0  0  0  0
    4.6651    2.4592   -1.0038 H   0  0  0  0  0
    7.4397    4.3298   -2.0121 H   0  0  0  0  0
    7.1311    0.6228   -0.0897 H   0  0  0  0  0
   10.6293    0.7917   -1.6556 H   0  0  0  0  0
    9.4025   -0.4524   -1.4459 H   0  0  0  0  0
    9.2779    0.0126    0.9913 H   0  0  0  0  0
   10.4417    1.3063    0.8592 H   0  0  0  0  0
   10.9292   -1.6385    0.1926 H   0  0  0  0  0
   12.4449    1.7675   -0.0476 H   0  0  0  0  0
   14.5797    2.1526   -1.1792 H   0  0  0  0  0
   16.0307    0.2443   -1.8147 H   0  0  0  0  0
   15.3225   -2.0750   -1.2918 H   0  0  0  0  0
   13.1730   -2.4930   -0.1601 H   0  0  0  0  0
   12.7718    0.6905    2.5614 H   0  0  0  0  0
   12.9227    0.2540    4.9739 H   0  0  0  0  0
   11.6656   -1.6272    5.9908 H   0  0  0  0  0
   10.2495   -3.0813    4.5661 H   0  0  0  0  0
   10.0903   -2.6716    2.1408 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 13 20  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
 22 49  1  0  0  0
 23 24  1  0  0  0
 23 50  1  0  0  0
 24 25  2  0  0  0
 24 51  1  0  0  0
 25 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL11515

>  <PubChem CID>
10688111

>  <Formula>
C22H27N3

>  <Molecular Weight>
333.479000

>  <IUPAC Name>
2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N-ethylethanamine

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCNCCC1=CN=C(N1)CCC(C2=CC=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
CCNCCC1=CN=C(N1)CCC(C2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C22H27N3/c1-2-23-16-15-20-17-24-22(25-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21,23H,2,13-16H2,1H3,(H,24,25)

>  <InChI Key>
HANVENUBICTJAH-UHFFFAOYSA-N

