
 FUB-349

 31 32  0  0  0  0  0  0  0  0999 V2000
   -1.5103   -0.3591    0.3220 C   0  0  0  0  0
   -0.9547   -0.3626   -0.9561 C   0  0  0  0  0
    0.4226   -0.2068   -1.1205 C   0  0  0  0  0
    1.2560   -0.0410   -0.0064 C   0  0  0  0  0
    0.6880   -0.0456    1.2746 C   0  0  0  0  0
   -0.6894   -0.2015    1.4370 C   0  0  0  0  0
    2.7465    0.1087   -0.1801 C   0  0  0  0  0
    3.4545   -1.2479   -0.1682 C   0  0  0  0  0
    4.9671   -1.0848   -0.3242 C   0  0  0  0  0
    5.6767   -2.4400   -0.3115 C   0  0  0  0  0
    7.1493   -2.2822   -0.4418 C   0  0  0  0  0
    8.1486   -2.1395    0.4970 C   0  0  0  0  0
    9.3738   -2.0226   -0.1056 N   0  0  0  0  0
    9.1349   -2.0950   -1.3937 C   0  0  0  0  0
    7.8031   -2.2540   -1.6486 N   0  0  0  0  0
   -2.5827   -0.4802    0.4493 H   0  0  0  0  0
   -1.5944   -0.4876   -1.8257 H   0  0  0  0  0
    0.8420   -0.2148   -2.1238 H   0  0  0  0  0
    1.3165    0.0727    2.1544 H   0  0  0  0  0
   -1.1216   -0.2008    2.4342 H   0  0  0  0  0
    3.1428    0.7501    0.6174 H   0  0  0  0  0
    2.9528    0.6351   -1.1207 H   0  0  0  0  0
    3.0671   -1.8774   -0.9793 H   0  0  0  0  0
    3.2377   -1.7735    0.7705 H   0  0  0  0  0
    5.3534   -0.4552    0.4876 H   0  0  0  0  0
    5.1855   -0.5592   -1.2626 H   0  0  0  0  0
    5.2975   -3.0680   -1.1272 H   0  0  0  0  0
    5.4517   -2.9682    0.6233 H   0  0  0  0  0
    8.0496   -2.1132    1.5749 H   0  0  0  0  0
    9.8759   -2.0395   -2.1804 H   0  0  0  0  0
    7.3817   -2.3339   -2.5638 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
FUB-349

>  <PubChem CID>
9990388

>  <Formula>
C13H16N2

>  <Molecular Weight>
200.285000

>  <IUPAC Name>
5-(4-phenylbutyl)-1H-imidazole

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1=CC=C(C=C1)CCCCC2=CN=CN2

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCCCC2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C13H16N2/c1-2-6-12(7-3-1)8-4-5-9-13-10-14-11-15-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,14,15)

>  <InChI Key>
BQTXNCXSCSNHGA-UHFFFAOYSA-N

