16084458
  -OEChem-04232420312D

 47 51  0     0  0  0  0  0  0999 V2000
    5.3520    2.5651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8153   -2.0185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4247   -2.0185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    2.5651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -5.5628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -1.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -2.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -2.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    4.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    4.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    5.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    1.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -3.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    3.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    1.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    1.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -4.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    4.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2460    4.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    6.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -4.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2460    6.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200    5.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1521    4.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1521    5.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2259   -1.8259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2170   -0.2449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0230   -0.2449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2400   -3.8308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2170    1.3751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0230    1.3751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0831    2.8751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0831    4.2551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2388    3.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860    6.6851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4300   -5.2337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2388    6.7197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0831    5.8751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6878    4.2322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6878    5.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9300   -6.0998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.5628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 30  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4 13  1  0  0  0  0
  4 18  1  0  0  0  0
  4 37  1  0  0  0  0
  5 21  1  0  0  0  0
  5 46  1  0  0  0  0
  5 47  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  2  0  0  0  0
 11 18  1  0  0  0  0
 11 22  2  0  0  0  0
 12 24  1  0  0  0  0
 12 26  2  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  2  0  0  0  0
 14 31  1  0  0  0  0
 15 19  1  0  0  0  0
 15 32  1  0  0  0  0
 16 20  2  0  0  0  0
 16 33  1  0  0  0  0
 17 25  2  0  0  0  0
 17 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 25  1  0  0  0  0
 22 27  1  0  0  0  0
 22 38  1  0  0  0  0
 23 28  1  0  0  0  0
 23 39  1  0  0  0  0
 24 27  2  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 29  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 29  2  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16084458

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
575

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFjB9AAAHgAQAAAADAiBnwAx0PbJkACoAydydACCgC2lEqAJmSEwdNiIaLLA3dGUJQholALIyacYiMCOiACCAAQQACAQAQQACCAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]naphthalene-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]-1-naphthalenecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(6-amino-1<I>H</I>-benzimidazol-2-yl)phenyl]naphthalene-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]naphthalene-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(6-azanyl-1H-benzimidazol-2-yl)phenyl]naphthalene-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]-1-naphthamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H18N4O/c25-17-10-13-21-22(14-17)28-23(27-21)16-8-11-18(12-9-16)26-24(29)20-7-3-5-15-4-1-2-6-19(15)20/h1-14H,25H2,(H,26,29)(H,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
KBWQPFYXNJITCK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
378.14806121

> <PUBCHEM_MOLECULAR_FORMULA>
C24H18N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
378.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N

> <PUBCHEM_CACTVS_TPSA>
83.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
378.14806121

> <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>
10  11  8
10  12  8
10  23  8
11  22  8
12  24  8
12  26  8
13  19  8
13  20  8
14  21  8
15  19  8
16  20  8
17  25  8
2  6  8
2  7  8
21  25  8
22  27  8
23  28  8
24  27  8
26  29  8
28  29  8
3  6  8
3  9  8
7  14  8
7  9  8
8  15  8
8  16  8
9  17  8

$$$$