
 CHEMBL1091917

 48 50  0  0  0  0  0  0  0  0999 V2000
    1.5642    0.7660    1.0985 C   0  0  0  0  0
    3.0605    0.4759    1.0485 C   0  0  0  0  0
    4.0088    1.7026    1.2167 C   0  0  0  0  0
    3.6987    2.4400    2.5326 C   0  0  0  0  0
    5.4463    1.1427    1.3003 C   0  0  0  0  0
    3.8565    2.6468   -0.0102 C   0  0  0  0  0
    4.6563    3.9055    0.0290 C   0  0  0  0  0
    4.2822    5.2207    0.2076 C   0  0  0  0  0
    5.3659    6.0551    0.1311 N   0  0  0  0  0
    6.4012    5.2747   -0.0952 C   0  0  0  0  0
    6.0114    3.9643   -0.1875 N   0  0  0  0  0
    7.8231    5.7005   -0.2485 C   0  0  0  0  0
    8.3461    6.4485    0.9804 C   0  0  0  0  0
    8.5774    5.5557    2.1791 C   0  0  0  0  0
    7.5623    5.3706    3.1273 C   0  0  0  0  0
    7.7739    4.5635    4.2481 C   0  0  0  0  0
    9.0094    3.9275    4.4270 C   0  0  0  0  0
   10.0233    4.0932    3.4737 C   0  0  0  0  0
    9.8045    4.9022    2.3551 C   0  0  0  0  0
    9.2346    3.1295    5.5734 N   0  0  0  0  0
    8.3019    2.9377    6.5451 N   0  0  0  0  0
    8.9847    2.1557    7.3833 C   0  0  0  0  0
   10.2462    1.8641    6.9714 N   0  0  0  0  0
   10.4065    2.4851    5.8117 N   0  0  0  0  0
    1.0036   -0.1661    0.9642 H   0  0  0  0  0
    1.2506    1.4508    0.3064 H   0  0  0  0  0
    1.2670    1.1867    2.0636 H   0  0  0  0  0
    3.2816   -0.0229    0.0958 H   0  0  0  0  0
    3.2767   -0.2603    1.8338 H   0  0  0  0  0
    2.7308    2.9506    2.4913 H   0  0  0  0  0
    4.4582    3.1965    2.7610 H   0  0  0  0  0
    3.6757    1.7412    3.3773 H   0  0  0  0  0
    5.7543    0.6987    0.3462 H   0  0  0  0  0
    5.5229    0.3624    2.0672 H   0  0  0  0  0
    6.1754    1.9144    1.5677 H   0  0  0  0  0
    2.8042    2.9390   -0.1184 H   0  0  0  0  0
    4.1093    2.0996   -0.9290 H   0  0  0  0  0
    3.2887    5.6085    0.3810 H   0  0  0  0  0
    6.6233    3.1804   -0.3625 H   0  0  0  0  0
    7.8801    6.3682   -1.1168 H   0  0  0  0  0
    8.4616    4.8371   -0.4705 H   0  0  0  0  0
    7.6691    7.2672    1.2582 H   0  0  0  0  0
    9.2982    6.9309    0.7220 H   0  0  0  0  0
    6.5983    5.8621    2.9984 H   0  0  0  0  0
    6.9688    4.4494    4.9714 H   0  0  0  0  0
   10.9924    3.6107    3.5889 H   0  0  0  0  0
   10.6052    5.0317    1.6303 H   0  0  0  0  0
    8.5567    1.7921    8.3068 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  6  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 12  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 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 17  2  0  0  0
 16 45  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 24  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 23 24  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL1091917

>  <PubChem CID>
46884687

>  <Formula>
C18H24N6

>  <Molecular Weight>
324.432000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(C)(C)CC1=CN=C(N1)CCC2=CC=C(C=C2)N3N=CN=N3

>  <Isomeric SMILES>
CCC(C)(C)CC1=CN=C(N1)CCC2=CC=C(C=C2)N3N=CN=N3

>  <InChI Std. ID>
InChI=1S/C18H24N6/c1-4-18(2,3)11-15-12-19-17(22-15)10-7-14-5-8-16(9-6-14)24-21-13-20-23-24/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,19,22)

>  <InChI Key>
GMVHACDFLPWRML-UHFFFAOYSA-N

