42794006
  -OEChem-05122400442D

 54 57  0     0  0  0  0  0  0999 V2000
    8.2619    2.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643   -1.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.6020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    3.1388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.5293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3551   -1.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7564   -0.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0983   -1.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -3.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -3.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -0.8746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445   -0.4761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695    0.3466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793   -0.0520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8445    0.8141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542    1.2126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869   -0.7315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869   -1.5286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    1.2560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695    0.8575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445    2.5461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    2.9446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    3.7281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7487   -1.3065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419   -2.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -1.4591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1713    0.0922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0335   -2.4633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -4.2650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -2.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.1441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.5241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -4.2650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 21  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 16  1  0  0  0  0
  4 42  1  0  0  0  0
  5 13  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  9  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 14  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 15  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 14 18  1  0  0  0  0
 14 21  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  2  0  0  0  0
 18 24  2  0  0  0  0
 18 43  1  0  0  0  0
 19 25  1  0  0  0  0
 19 44  1  0  0  0  0
 20 26  2  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 27  1  0  0  0  0
 22 47  1  0  0  0  0
 23 28  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 29  2  0  0  0  0
 25 50  1  0  0  0  0
 26 29  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  2  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
42794006

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
508

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWJAAAAwYAAAAAAAAFgB/AAAHgAQAAAADAjhnwYx1LfJlECoAy9y9ACCiC2lMqAJmSE+fNiMbrrEvZuWOSju1hPI6ac0gIAOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(1H-benzimidazol-2-yl)-N-(3-furylmethyl)-N-(3-phenylpropyl)propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-(1H-benzimidazol-2-yl)-N-(3-furanylmethyl)-N-(3-phenylpropyl)propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(1<I>H</I>-benzimidazol-2-yl)-<I>N</I>-(furan-3-ylmethyl)-<I>N</I>-(3-phenylpropyl)propanamide

> <PUBCHEM_IUPAC_NAME>
3-(1H-benzimidazol-2-yl)-N-(furan-3-ylmethyl)-N-(3-phenylpropyl)propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(1H-benzimidazol-2-yl)-N-(furan-3-ylmethyl)-N-(3-phenylpropyl)propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(1H-benzimidazol-2-yl)-N-(3-furfuryl)-N-(3-phenylpropyl)propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H25N3O2/c28-24(13-12-23-25-21-10-4-5-11-22(21)26-23)27(17-20-14-16-29-18-20)15-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-11,14,16,18H,6,9,12-13,15,17H2,(H,25,26)

> <PUBCHEM_IUPAC_INCHIKEY>
CGHQTHZZVDFLJU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
387.19467705

> <PUBCHEM_MOLECULAR_FORMULA>
C24H25N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
387.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)CCCN(CC2=COC=C2)C(=O)CCC3=NC4=CC=CC=C4N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)CCCN(CC2=COC=C2)C(=O)CCC3=NC4=CC=CC=C4N3

> <PUBCHEM_CACTVS_TPSA>
62.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
387.19467705

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
14  18  8
14  21  8
15  19  8
15  20  8
16  17  8
16  22  8
17  23  8
18  24  8
19  25  8
2  21  8
2  24  8
20  26  8
22  27  8
23  28  8
25  29  8
26  29  8
27  28  8
4  13  8
4  16  8
5  13  8
5  17  8

$$$$