53383232
  -OEChem-05092415332D

 52 56  0     1  0  0  0  0  0999 V2000
    6.6353   -1.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.6802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.2896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.4271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.7296    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -1.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    0.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426   -0.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639    1.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6747    0.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854    1.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    3.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    2.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1014   -1.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9158   -3.5675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7385   -3.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7385   -1.8772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9158   -1.4023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030   -1.1911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.2949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384    1.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -0.7809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    0.8886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    0.0137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704    0.5460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1565    2.2988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0681    0.4249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    1.9647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2928    2.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9598    1.3286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7960    3.7401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4631    2.8684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3812    4.0742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  2  0  0  0  0
  3 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 20  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 21  1  0  0  0  0
 18 40  1  0  0  0  0
 19 22  2  0  0  0  0
 19 41  1  0  0  0  0
 20 24  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 23  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 48  1  0  0  0  0
 26 28  2  0  0  0  0
 26 49  1  0  0  0  0
 27 29  2  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383232

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
550

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAGAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQAAAADSjBnwQx0LfMEACoAydydACCgC0hEqAJ2KG4dJiIaLLAnbGUIAholgLIyCcYiICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-benzyl-2-(2-cyclopropylbenzimidazol-1-yl)-2-phenyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-cyclopropyl-1-benzimidazolyl)-2-phenyl-N-(phenylmethyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-benzyl-2-(2-cyclopropylbenzimidazol-1-yl)-2-phenylacetamide

> <PUBCHEM_IUPAC_NAME>
N-benzyl-2-(2-cyclopropylbenzimidazol-1-yl)-2-phenylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-cyclopropylbenzimidazol-1-yl)-2-phenyl-N-(phenylmethyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-benzyl-2-(2-cyclopropylbenzimidazol-1-yl)-2-phenyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H23N3O/c29-25(26-17-18-9-3-1-4-10-18)23(19-11-5-2-6-12-19)28-22-14-8-7-13-21(22)27-24(28)20-15-16-20/h1-14,20,23H,15-17H2,(H,26,29)

> <PUBCHEM_IUPAC_INCHIKEY>
GAJKRPDXVURQAH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
381.184112366

> <PUBCHEM_MOLECULAR_FORMULA>
C25H23N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
381.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1C2=NC3=CC=CC=C3N2C(C4=CC=CC=C4)C(=O)NCC5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1C2=NC3=CC=CC=C3N2C(C4=CC=CC=C4)C(=O)NCC5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
46.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
381.184112366

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
10  11  8
10  14  8
11  15  8
12  18  8
12  19  8
14  16  8
15  17  8
16  17  8
18  21  8
19  22  8
2  10  8
2  8  8
21  23  8
22  23  8
24  25  8
24  26  8
25  27  8
26  28  8
27  29  8
28  29  8
3  11  8
3  8  8
9  13  3

$$$$