52889
  -OEChem-05201318242D

 54 55  0     0  0  0  0  0  0999 V2000
   10.5369    0.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0369    1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0369    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3459    0.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7279    0.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7768    0.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0337    1.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826    0.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0369    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9879    2.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395    1.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5369   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884    1.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    1.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6708   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4029   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    2.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6708   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4029   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5369   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6559    0.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9123    1.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2882    0.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0679   -0.0381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5222    1.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7426    1.7259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5940    0.4878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3737    0.3220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1795    1.4888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5776    2.2700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7963    2.6681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6569    2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0369    3.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4169    2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8280    1.9203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0484    2.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998    0.8479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6795    0.6821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1338    2.2804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542    2.4461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2056    1.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9853    1.0423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1339   -0.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9398   -0.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4396    2.6405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6600    2.8062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1339   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9398   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    2.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    1.7582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916    1.3602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5369   -3.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 11  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 18  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 19  1  0  0  0  0
 16 45  1  0  0  0  0
 17 20  2  0  0  0  0
 17 46  1  0  0  0  0
 18 21  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 22  2  0  0  0  0
 19 49  1  0  0  0  0
 20 22  1  0  0  0  0
 20 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
52889

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
340

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7AAAAAAAAAAAAAAAAAAAAAQAAAAAwAAAAAAAAAAABAAAAHAAAAAAADIjBEAQzwIMAAACgACZiZACCAAEhAgAJiAA4ZIgIYCLAmZGUIAhggADIyAcQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,5-dimethyl-2-nonyl-3-phenyl-4H-imidazole

> <PUBCHEM_IUPAC_CAS_NAME>
5,5-dimethyl-2-nonyl-3-phenyl-4H-imidazole

> <PUBCHEM_IUPAC_NAME>
5,5-dimethyl-2-nonyl-3-phenyl-4H-imidazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,5-dimethyl-2-nonyl-3-phenyl-4H-imidazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,4-dimethyl-2-nonyl-1-phenyl-2-imidazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H32N2/c1-4-5-6-7-8-9-13-16-19-21-20(2,3)17-22(19)18-14-11-10-12-15-18/h10-12,14-15H,4-9,13,16-17H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
WXPQGTJXMUKMFT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.6

> <PUBCHEM_EXACT_MASS>
300.256549

> <PUBCHEM_MOLECULAR_FORMULA>
C20H32N2

> <PUBCHEM_MOLECULAR_WEIGHT>
300.48148

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCC1=NC(CN1C2=CC=CC=C2)(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCC1=NC(CN1C2=CC=CC=C2)(C)C

> <PUBCHEM_CACTVS_TPSA>
15.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
300.256549

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  16  8
12  17  8
16  19  8
17  20  8
19  22  8
20  22  8

$$$$