51361301
  -OEChem-05072407182D

 35 38  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1406    3.0724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7157   -1.2634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.8772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086    0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157   -2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    0.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668   -2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514    1.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4019   -0.6092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375    0.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1044    1.5055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0160   -0.3684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5241   -3.4711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341    0.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683   -2.9369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    2.3772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683   -1.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 11 26  1  0  0  0  0
 12 18  2  0  0  0  0
 13 17  2  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 28  1  0  0  0  0
 16 20  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  1  0  0  0  0
 18 31  1  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
 20 32  1  0  0  0  0
 21 23  2  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51361301

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
411

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAGAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAFgB/AAAHgIAAAAADA7hnyY9tJ8MHECoA7535ASCiC03N6AJ2CG+ftiObvrFv7vXOajuwBPY6eeY2fOeAAAAIAAAAAAAAABAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-chloro-3-[(3-chlorophenyl)methyl]-2-(2-furyl)imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
6-chloro-3-[(3-chlorophenyl)methyl]-2-(2-furanyl)imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-chloro-3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_NAME>
6-chloro-3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-chloranyl-3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-chloro-3-(3-chlorobenzyl)-2-(2-furyl)imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H12Cl2N2O/c19-13-4-1-3-12(9-13)10-15-18(16-5-2-8-23-16)21-17-7-6-14(20)11-22(15)17/h1-9,11H,10H2

> <PUBCHEM_IUPAC_INCHIKEY>
BRIXXSCSWZQOIJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.7

> <PUBCHEM_EXACT_MASS>
342.0326684

> <PUBCHEM_MOLECULAR_FORMULA>
C18H12Cl2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
343.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC(=C1)Cl)CC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC(=C1)Cl)CC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
30.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
342.0326684

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  15  8
10  16  8
11  14  8
12  18  8
13  17  8
14  17  8
15  19  8
16  20  8
18  21  8
19  22  8
20  22  8
21  23  8
3  12  8
3  23  8
4  11  8
4  6  8
4  9  8
5  8  8
5  9  8
6  8  8
9  13  8

$$$$