60659625
  -OEChem-04202411242D

 38 40  0     1  0  0  0  0  0999 V2000
   10.7564   -1.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.5273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.1981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.3934    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2619    1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3551   -2.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0983   -2.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643   -2.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819    1.3934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -0.0096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.7874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988    1.9494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0719    2.7963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2249    2.5694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793   -0.5508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3695   -0.9493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8445   -0.1267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542    0.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.2034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7487   -2.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0335   -3.4040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5307   -2.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 21  1  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 16  2  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  2  0  0  0  0
 16 18  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60659625

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
363

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAFgB/AAAHgAQAAAACCzhlwYz1LbJlECoAa9y9ACCiC2lMqAJmaE+fNiMbrLEvZuWOSjs1hPI6ae/yCCAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-furyl)propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-furanyl)propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-(1<I>H</I>-benzimidazol-2-yl)ethyl]-3-(furan-2-yl)propanamide

> <PUBCHEM_IUPAC_NAME>
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(furan-2-yl)propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(furan-2-yl)propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-furyl)propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H17N3O2/c1-11(16-18-13-6-2-3-7-14(13)19-16)17-15(20)9-8-12-5-4-10-21-12/h2-7,10-11H,8-9H2,1H3,(H,17,20)(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
CJSFENBXDADFSG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
283.132076794

> <PUBCHEM_MOLECULAR_FORMULA>
C16H17N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
283.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1=NC2=CC=CC=C2N1)NC(=O)CCC3=CC=CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1=NC2=CC=CC=C2N1)NC(=O)CCC3=CC=CO3

> <PUBCHEM_CACTVS_TPSA>
70.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
283.132076794

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
1  15  8
1  21  8
11  16  8
14  17  8
15  19  8
16  18  8
17  18  8
19  20  8
20  21  8
4  7  8
4  8  8
5  11  8
5  7  8
6  9  3
8  11  8
8  14  8

$$$$