46262608
  -OEChem-04262403512D

 60 63  0     0  0  0  0  0  0999 V2000
    6.2781    2.5066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138    1.0180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.3993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.2102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -3.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -3.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -3.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -3.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    1.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    3.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9030    2.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    3.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2136    3.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2816    0.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2869   -2.6050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2869   -3.4020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8445   -1.9254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -1.5269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793   -4.0816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3695   -4.4801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2368   -3.4020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2368   -2.6050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542   -4.4801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8445   -4.0816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445   -1.0594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -0.6609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793   -1.4835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695   -1.8820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445   -0.1934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    0.2052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    1.9695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    1.4372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880    0.9364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812    1.4687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1532    4.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3170    1.7132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7384    4.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8203    3.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8202   -0.1404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6957   -0.1878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7431    0.6877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 29  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 14  2  0  0  0  0
  5 17  1  0  0  0  0
  6  8  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 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  2  0  0  0  0
 16 18  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 20  2  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 21  1  0  0  0  0
 19 50  1  0  0  0  0
 20 22  1  0  0  0  0
 20 51  1  0  0  0  0
 21 22  2  0  0  0  0
 21 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 54  1  0  0  0  0
 26 28  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  2  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46262608

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
471

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAAAAAACAzhlwYz1rcMFACgASZiZACCiC0hMqAJ2CA+/JiPbqLEuZuXOCrswBPa6CeQQAAAAAAAAAAAQCAAAAAAAACAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-(2-methoxyphenoxy)ethyl]-2-[3-(1-piperidyl)propyl]benzimidazole

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-(2-methoxyphenoxy)ethyl]-2-[3-(1-piperidinyl)propyl]benzimidazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-piperidin-1-ylpropyl)benzimidazole

> <PUBCHEM_IUPAC_NAME>
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-piperidin-1-ylpropyl)benzimidazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-piperidin-1-ylpropyl)benzimidazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-piperidinopropyl)benzimidazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H31N3O2/c1-28-22-12-5-6-13-23(22)29-19-18-27-21-11-4-3-10-20(21)25-24(27)14-9-17-26-15-7-2-8-16-26/h3-6,10-13H,2,7-9,14-19H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FNICANKXSXBUPZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
393.24162724

> <PUBCHEM_MOLECULAR_FORMULA>
C24H31N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
393.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC=C1OCCN2C3=CC=CC=C3N=C2CCCN4CCCCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1OCCN2C3=CC=CC=C3N=C2CCCN4CCCCC4

> <PUBCHEM_CACTVS_TPSA>
39.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
393.24162724

> <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>
15  17  8
15  19  8
17  20  8
19  21  8
20  22  8
21  22  8
23  24  8
23  25  8
24  26  8
25  27  8
26  28  8
27  28  8
4  14  8
4  15  8
5  14  8
5  17  8

$$$$