65558
  -OEChem-05082418012D

 58 62  0     0  0  0  0  0  0999 V2000
    2.0000    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    7.0878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -7.0878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    7.0878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -7.0878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    8.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -8.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    8.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -8.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629    8.6554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    8.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0333   -8.6554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045   -8.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    8.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0333    8.6554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916   -8.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -8.6554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994    6.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967   -6.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 30  2  0  0  0  0
  3 31  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 44  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 45  1  0  0  0  0
  6 12  2  0  0  0  0
  6 14  1  0  0  0  0
  7 13  2  0  0  0  0
  7 15  1  0  0  0  0
  8 22  1  0  0  0  0
  8 30  1  0  0  0  0
  8 54  1  0  0  0  0
  9 23  1  0  0  0  0
  9 31  1  0  0  0  0
  9 55  1  0  0  0  0
 10 14  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 15  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 24  1  0  0  0  0
 18 46  1  0  0  0  0
 19 25  2  0  0  0  0
 19 47  1  0  0  0  0
 20 26  1  0  0  0  0
 20 48  1  0  0  0  0
 21 27  2  0  0  0  0
 21 49  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 30  1  0  0  0  0
 28 32  2  0  0  0  0
 28 33  1  0  0  0  0
 29 31  1  0  0  0  0
 29 34  2  0  0  0  0
 29 35  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  2  0  0  0  0
 33 56  1  0  0  0  0
 34 57  1  0  0  0  0
 35 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65558

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
832

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAEAAAAAAAAAAAAAAAAAQIAAAAwYMAAAAAAAAABUAAAHgIQAAAADArBmCQxwILAAACoAidydACCAAElBwAJiIEoZtgIYLLBn5GUIQhglADIzYcYiACOSAAAIAABAACQAABAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]terephthalamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-1-<I>N</I>,4-<I>N</I>-bis[4-(4,5-dihydro-1<I>H</I>-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N,N'-bis[4-(2-imidazolin-2-yl)phenyl]terephthalamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H23ClN6O2/c27-22-15-18(25(34)32-19-6-1-16(2-7-19)23-28-11-12-29-23)5-10-21(22)26(35)33-20-8-3-17(4-9-20)24-30-13-14-31-24/h1-10,15H,11-14H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)

> <PUBCHEM_IUPAC_INCHIKEY>
UJQGBYRKCZQJJS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
486.1571017

> <PUBCHEM_MOLECULAR_FORMULA>
C26H23ClN6O2

> <PUBCHEM_MOLECULAR_WEIGHT>
487.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)Cl

> <PUBCHEM_CACTVS_TPSA>
107

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
486.1571017

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <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>
16  18  8
16  19  8
17  20  8
17  21  8
18  24  8
19  25  8
20  26  8
21  27  8
22  24  8
22  25  8
23  26  8
23  27  8
28  32  8
28  33  8
29  34  8
29  35  8
32  34  8
33  35  8

$$$$