60178509
  -OEChem-05122419452D

 43 46  0     0  0  0  0  0  0999 V2000
    5.9409   -1.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4348   -1.8980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1671   -0.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8069   -0.0320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3512   -0.2272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3512   -1.8367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0749   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9718    0.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4050   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9409   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6730   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4050   -1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9609   -1.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5390   -0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9348   -1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6730   -1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5390   -2.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9348   -1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348   -1.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4333    1.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -0.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -1.2877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8330   -2.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5675   -1.5434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5390    0.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    2.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8069    0.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5438    0.3621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360   -1.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5390   -2.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    2.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5174   -0.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8272   -0.4214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348   -2.5180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0548   -1.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348   -1.2780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 16  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 33  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  5 34  1  0  0  0  0
  6 14  1  0  0  0  0
  6 19  2  0  0  0  0
  7  9  1  0  0  0  0
  7 15  2  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  2  0  0  0  0
 10 26  1  0  0  0  0
 11 14  2  0  0  0  0
 11 17  1  0  0  0  0
 13 17  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 23  1  0  0  0  0
 18 32  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  2  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60178509

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
488

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB/gAAHgAQAAAADAihnwYz0PfNlACoAydydASCgC2nEqAJ2SG4dNiKaPLA3fGVJQholALYyacYiYCeAACAAAQCACAAAQAACAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-1-methyl-indole-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-1-methyl-2-indolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(methoxymethyl)-3<I>H</I>-benzimidazol-5-yl]-1-methylindole-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-1-methylindole-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-1-methyl-indole-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-1-methyl-indole-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18N4O2/c1-23-16-6-4-3-5-12(16)9-17(23)19(24)20-13-7-8-14-15(10-13)22-18(21-14)11-25-2/h3-10H,11H2,1-2H3,(H,20,24)(H,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
MYTVVDZHVISYHC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
334.14297583

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
334.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=CC=CC=C2C=C1C(=O)NC3=CC4=C(C=C3)N=C(N4)COC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=CC=CC=C2C=C1C(=O)NC3=CC4=C(C=C3)N=C(N4)COC

> <PUBCHEM_CACTVS_TPSA>
71.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
334.14297583

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
11  14  8
11  17  8
13  17  8
13  20  8
14  21  8
15  22  8
18  23  8
20  21  8
22  23  8
3  7  8
3  8  8
5  11  8
5  19  8
6  14  8
6  19  8
7  15  8
7  9  8
8  10  8
9  10  8
9  18  8

$$$$