51360059
  -OEChem-05122419232D

 35 38  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5972    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7157   -0.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.4019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157   -2.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    1.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    2.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668   -2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514    2.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668   -1.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4019   -0.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375    0.6460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0160    0.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1044    1.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5241   -2.9959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341    1.3126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0225    3.1865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683   -2.4616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    2.8524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683   -0.7328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  2  0  0  0  0
 10 25  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 20  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  2  0  0  0  0
 18 31  1  0  0  0  0
 19 21  1  0  0  0  0
 19 32  1  0  0  0  0
 20 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51360059

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
374

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAEAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAFgB/AAAHgIAAAAADA7hnyY9tJ8MHECoA7535ASCiC03N6AJ2CG+ftiObvrFv7vXOajuwBPY6eeY2fOeAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H13ClN2O/c19-14-8-9-17-20-18(16-7-4-10-22-16)15(21(17)12-14)11-13-5-2-1-3-6-13/h1-10,12H,11H2

> <PUBCHEM_IUPAC_INCHIKEY>
GJYMCSGMHDLWEC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
308.0716407

> <PUBCHEM_MOLECULAR_FORMULA>
C18H13ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
308.8

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

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

> <PUBCHEM_CACTVS_TPSA>
30.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
308.0716407

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  13  8
11  17  8
12  14  8
13  14  8
15  18  8
16  19  8
17  20  8
18  21  8
19  21  8
2  11  8
2  22  8
20  22  8
3  10  8
3  5  8
3  8  8
4  7  8
4  8  8
5  7  8
8  12  8
9  15  8
9  16  8

$$$$