53756217
  -OEChem-05052401312D

 42 45  0     1  0  0  0  0  0999 V2000
   10.7564   -2.1753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.3934    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6783    3.0641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.4546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3551   -2.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0983   -3.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643   -3.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445    1.6054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542    2.0039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7368    0.1288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7368    0.9259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869    0.9259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869    0.1288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445    2.4714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -0.8756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    3.6534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -1.7417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.8794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -0.6678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7487   -3.1132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0335   -4.2700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5307   -3.4056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 23  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  3 33  1  0  0  0  0
  4 11  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 11  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 32  1  0  0  0  0
 12 16  2  3  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 35  1  0  0  0  0
 16 20  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53756217

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
462

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWJAAAAwQAAAAAAAAFgB/AAAHgAQAAAADAzhlwYx1LfJlECoA65y5ACCiC2lMqAJmSE+fNiMbrLEvZuWOSjs0BPI6aeYAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[4-[2-(2-furyl)vinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-benzimidazole

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[4-[2-(2-furanyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-benzimidazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[4-[2-(furan-2-yl)ethenyl]-3,6-dihydro-2<I>H</I>-pyridin-1-yl]methyl]-1<I>H</I>-benzimidazole

> <PUBCHEM_IUPAC_NAME>
2-[[4-[2-(furan-2-yl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-benzimidazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[[4-[2-(furan-2-yl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-benzimidazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[4-[2-(2-furyl)vinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-benzimidazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19N3O/c1-2-6-18-17(5-1)20-19(21-18)14-22-11-9-15(10-12-22)7-8-16-4-3-13-23-16/h1-9,13H,10-12,14H2,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
DEQQCCYYUIQODS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
305.152812238

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
305.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CC=C1C=CC2=CC=CO2)CC3=NC4=CC=CC=C4N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CC=C1C=CC2=CC=CO2)CC3=NC4=CC=CC=C4N3

> <PUBCHEM_CACTVS_TPSA>
45.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
305.152812238

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  20  8
1  23  8
12  16  1
13  14  8
13  15  8
14  17  8
15  18  8
17  19  8
18  19  8
20  21  8
21  22  8
22  23  8
3  11  8
3  13  8
4  11  8
4  14  8

$$$$