51869893
  -OEChem-05102404442D

 49 53  0     1  0  0  0  0  0999 V2000
    5.2619    0.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.1044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.7752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.1657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3568   -1.5354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.9704    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7619    2.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0938   -2.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9598   -1.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7506   -0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    3.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0938   -3.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8258   -2.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    1.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    3.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    2.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9598   -3.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8258   -3.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9519    1.4335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695    3.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    3.0485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3819    1.1044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    3.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7501   -1.6633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1647   -0.2692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519    1.4335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519    4.2394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5568   -3.5125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3628   -1.8925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.7804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.1604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719    1.4335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719    4.2394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3819    2.8365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9598   -4.3225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3628   -3.5125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  6  2  1  1  0  0  0
  2 12  1  0  0  0  0
  2 33  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 34  1  0  0  0  0
  4  8  2  0  0  0  0
  4 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  9 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  2  0  0  0  0
 11 20  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  2  0  0  0  0
 15 16  1  0  0  0  0
 15 22  2  0  0  0  0
 16 36  1  0  0  0  0
 17 25  1  0  0  0  0
 17 37  1  0  0  0  0
 18 26  2  0  0  0  0
 18 38  1  0  0  0  0
 19 23  1  0  0  0  0
 19 39  1  0  0  0  0
 20 24  1  0  0  0  0
 20 40  1  0  0  0  0
 21 28  1  0  0  0  0
 21 41  1  0  0  0  0
 22 29  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 27  2  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 29  2  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51869893

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
563

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/gAAHgAQAAAADCjBnwQx0PbJkACoAydydACCgC2nEqAJmaG4dNiIaPLAnbGUIQholgLIyacYiYCeAAAAAAACACAAAAAAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(1<I>R</I>)-1-(1<I>H</I>-benzimidazol-2-yl)-2-phenylethyl]-1<I>H</I>-indole-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H20N4O/c29-24(22-15-17-10-4-5-11-18(17)25-22)28-21(14-16-8-2-1-3-9-16)23-26-19-12-6-7-13-20(19)27-23/h1-13,15,21,25H,14H2,(H,26,27)(H,28,29)/t21-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RTOISKXVDDKJEA-OAQYLSRUSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
380.16371127

> <PUBCHEM_MOLECULAR_FORMULA>
C24H20N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
380.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC5=CC=CC=C5N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C[C@H](C2=NC3=CC=CC=C3N2)NC(=O)C4=CC5=CC=CC=C5N4

> <PUBCHEM_CACTVS_TPSA>
73.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
380.16371127

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
10  11  8
10  19  8
11  20  8
13  16  8
14  15  8
14  21  8
15  16  8
15  22  8
17  25  8
18  26  8
19  23  8
6  2  5
20  24  8
21  28  8
22  29  8
23  24  8
25  27  8
26  27  8
28  29  8
3  10  8
3  8  8
4  11  8
4  8  8
5  13  8
5  14  8
9  17  8
9  18  8

$$$$