3151
  -OEChem-05221314452D

 54 58  0     0  0  0  0  0  0999 V2000
    2.0000   -4.6027    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -3.6027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6837    0.7058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    0.0536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.7980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -4.4074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0546    2.3671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6547    2.1933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -1.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -1.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871   -1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978   -0.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -0.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    1.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654    1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -3.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0761    2.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4597    3.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7916    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4539    3.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0562    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0445    3.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6467    4.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6409    4.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2690   -2.3089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540   -2.2609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4473   -1.7286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6402   -0.8111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8046   -1.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4772    0.4670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8840   -0.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910   -0.9827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5267   -0.2028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7664    1.6238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1731    1.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7860    0.5907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3793    1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0556    2.7805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    2.2482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -4.9968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.2227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2198    1.9382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4398    4.2567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6608    3.9069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3965    5.5640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    5.3891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 17  2  0  0  0  0
  3 24  2  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 17  1  0  0  0  0
  6 19  1  0  0  0  0
  6 46  1  0  0  0  0
  7 18  1  0  0  0  0
  7 22  1  0  0  0  0
  7 24  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 50  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 18  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  2  0  0  0  0
 20 47  1  0  0  0  0
 21 26  2  0  0  0  0
 21 48  1  0  0  0  0
 22 25  1  0  0  0  0
 22 27  2  0  0  0  0
 23 26  1  0  0  0  0
 23 49  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 51  1  0  0  0  0
 28 30  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  2  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3151

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
655

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAEAAAAAAAAAAAAAAAAAWLAAAA8YIAAAAAAAFgBQAAAHgIQAAAACCrBECQxwIPAAACIACRCUACCAAAhBwAIiAAIdoiIYCLB05GUIAholgLIyCcQAAAAAABAAAIAACAAAIAABAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1H-benzimidazol-2-one

> <PUBCHEM_IUPAC_NAME>
6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-chloranyl-3-[1-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-chloro-3-[1-[3-(2-keto-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)

> <PUBCHEM_IUPAC_INCHIKEY>
FGXWKSZFVQUSTL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.9

> <PUBCHEM_EXACT_MASS>
425.161853

> <PUBCHEM_MOLECULAR_FORMULA>
C22H24ClN5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
425.91126

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O

> <PUBCHEM_CACTVS_TPSA>
67.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
425.161853

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  19  8
16  20  8
19  21  8
20  23  8
21  26  8
22  25  8
22  27  8
23  26  8
25  28  8
27  29  8
28  30  8
29  30  8
5  16  8
5  17  8
6  17  8
6  19  8
7  22  8
7  24  8
8  24  8
8  25  8

$$$$