
 CHEMBL1092381

 54 56  0  0  0  0  0  0  0  0999 V2000
    0.2275    3.5875    2.1410 C   0  0  0  0  0
    1.5318    3.3676    2.8968 C   0  0  0  0  0
    2.8198    3.2561    2.0266 C   0  0  0  0  0
    3.9840    2.9810    2.9989 C   0  0  0  0  0
    2.7024    2.0616    1.0597 C   0  0  0  0  0
    3.0567    4.5835    1.2530 C   0  0  0  0  0
    4.2905    4.6319    0.4110 C   0  0  0  0  0
    4.5178    4.3218   -0.9129 C   0  0  0  0  0
    5.8187    4.5756   -1.2639 N   0  0  0  0  0
    6.3951    5.0448   -0.1773 C   0  0  0  0  0
    5.5033    5.0860    0.8667 N   0  0  0  0  0
    7.8127    5.4933   -0.0377 C   0  0  0  0  0
    8.7769    4.3421    0.2694 C   0  0  0  0  0
    8.5432    3.7164    1.6248 C   0  0  0  0  0
    9.0272    4.3152    2.7922 C   0  0  0  0  0
    8.7256    3.7702    4.0480 C   0  0  0  0  0
    7.9346    2.6145    4.1727 C   0  0  0  0  0
    7.4866    2.0107    2.9859 C   0  0  0  0  0
    7.7804    2.5511    1.7323 C   0  0  0  0  0
    7.5416    2.0606    5.4842 C   0  0  0  0  0
    6.2895    1.5330    5.5406 N   0  0  0  0  0
    5.8619    1.0178    6.7036 C   0  0  0  0  0
    6.6366    1.0075    7.8511 C   0  0  0  0  0
    7.9190    1.5391    7.7949 C   0  0  0  0  0
    8.3809    2.0729    6.5954 C   0  0  0  0  0
    4.5642    0.5106    6.7193 N   0  0  0  0  0
   -0.6075    3.6179    2.8494 H   0  0  0  0  0
    0.0271    2.7775    1.4338 H   0  0  0  0  0
    0.2278    4.5364    1.5979 H   0  0  0  0  0
    1.4204    2.4531    3.4945 H   0  0  0  0  0
    1.6517    4.1873    3.6167 H   0  0  0  0  0
    4.1357    3.8178    3.6892 H   0  0  0  0  0
    4.9153    2.8169    2.4562 H   0  0  0  0  0
    3.7984    2.0821    3.5978 H   0  0  0  0  0
    1.9691    2.2531    0.2697 H   0  0  0  0  0
    2.3955    1.1543    1.5918 H   0  0  0  0  0
    3.6590    1.8403    0.5742 H   0  0  0  0  0
    3.0847    5.4192    1.9658 H   0  0  0  0  0
    2.2048    4.7823    0.5906 H   0  0  0  0  0
    3.8095    3.9344   -1.6339 H   0  0  0  0  0
    5.7178    5.3786    1.8111 H   0  0  0  0  0
    7.8847    6.2707    0.7326 H   0  0  0  0  0
    8.1175    5.9612   -0.9819 H   0  0  0  0  0
    9.8076    4.7174    0.2331 H   0  0  0  0  0
    8.7114    3.5723   -0.5104 H   0  0  0  0  0
    9.6279    5.2209    2.7378 H   0  0  0  0  0
    9.0918    4.2847    4.9331 H   0  0  0  0  0
    6.8641    1.1176    3.0362 H   0  0  0  0  0
    7.3743    2.0744    0.8416 H   0  0  0  0  0
    6.2478    0.6002    8.7779 H   0  0  0  0  0
    8.5514    1.5403    8.6776 H   0  0  0  0  0
    9.3858    2.4781    6.5377 H   0  0  0  0  0
    4.2119    0.5850    5.7680 H   0  0  0  0  0
    4.5469   -0.4471    7.0497 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  6  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 12 43  1  0  0  0
 13 14  1  0  0  0
 13 44  1  0  0  0
 13 45  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 16 17  2  0  0  0
 16 47  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 48  1  0  0  0
 19 49  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 26  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
 26 53  1  0  0  0
 26 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1092381

>  <PubChem CID>
46884628

>  <Formula>
C22H28N4

>  <Molecular Weight>
348.494000

>  <IUPAC Name>
6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridin-2-amine

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(C)(C)CC1=CN=C(N1)CCC2=CC=C(C=C2)C3=NC(=CC=C3)N

>  <Isomeric SMILES>
CCC(C)(C)CC1=CN=C(N1)CCC2=CC=C(C=C2)C3=NC(=CC=C3)N

>  <InChI Std. ID>
InChI=1S/C22H28N4/c1-4-22(2,3)14-18-15-24-21(25-18)13-10-16-8-11-17(12-9-16)19-6-5-7-20(23)26-19/h5-9,11-12,15H,4,10,13-14H2,1-3H3,(H2,23,26)(H,24,25)

>  <InChI Key>
CDWIMKPECRQBRI-UHFFFAOYSA-N

