51269929
  -OEChem-04262420332D

 40 43  0     1  0  0  0  0  0999 V2000
    5.5625   -0.3698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3620    2.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8497   -1.5288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.5330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.1425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.3378    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8497   -3.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007   -2.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8007   -1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406   -0.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2098    0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9008    1.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5699    1.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644    1.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9712    2.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2280    3.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9804   -1.7854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3127   -3.4568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1018   -3.7132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9296   -3.4442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4173   -2.7730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4173   -1.9026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9296   -1.2313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -0.9437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162    0.0365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2943    1.2454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8744    1.2182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5776    2.7976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2928    3.9544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 20  1  0  0  0  0
  2 23  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 31  1  0  0  0  0
  5 10  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 19  2  0  0  0  0
 14 32  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51269929

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
467

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWLEgAAwAAAAAAAAAFgB/AAAHgAQAAAACCzhlwYx1LfJlECoAa9y9ACCiC2lMqAJmSE+fNiMbrLEvZuWOSjs1hPI6aeYAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(2-furyl)prop-2-en-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-1-[2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-3-(2-furanyl)-2-propen-1-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>E</I>)-1-[2-(1<I>H</I>-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_NAME>
(E)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-1-[2-(1H-benzimidazol-2-yl)pyrrolidino]-3-(2-furyl)prop-2-en-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H17N3O2/c22-17(10-9-13-5-4-12-23-13)21-11-3-8-16(21)18-19-14-6-1-2-7-15(14)20-18/h1-2,4-7,9-10,12,16H,3,8,11H2,(H,19,20)/b10-9+

> <PUBCHEM_IUPAC_INCHIKEY>
OZGLYOXYNAVOBK-MDZDMXLPSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
307.132076794

> <PUBCHEM_MOLECULAR_FORMULA>
C18H17N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
307.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(N(C1)C(=O)C=CC2=CC=CO2)C3=NC4=CC=CC=C4N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(N(C1)C(=O)/C=C/C2=CC=CO2)C3=NC4=CC=CC=C4N3

> <PUBCHEM_CACTVS_TPSA>
62.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
307.132076794

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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  13  8
12  15  8
13  16  8
15  17  8
16  18  8
17  18  8
2  20  8
2  23  8
20  21  8
21  22  8
22  23  8
4  10  8
4  12  8
5  10  8
5  13  8
6  10  3

$$$$