
 MLS003231005

 38 41  0  0  0  0  0  0  0  0999 V2000
    0.8053   -0.1465   -0.2593 C   0  0  0  0  0
    2.3045   -0.0540   -0.1383 C   0  0  0  0  0
    3.0484   -1.1808   -0.0308 C   0  0  0  0  0
    4.4973   -1.1519    0.1087 C   0  0  0  0  0
    5.1230    0.0347    0.1520 C   0  0  0  0  0
    4.3767    1.2059    0.0424 N   0  0  0  0  0
    2.9938    1.2076   -0.1229 C   0  0  0  0  0
    2.5267    2.4297   -0.2517 N   0  0  0  0  0
    3.6205    3.2532   -0.1482 C   0  0  0  0  0
    4.7826    2.5297    0.0599 C   0  0  0  0  0
    6.1963    2.9637    0.2733 C   0  0  0  0  0
    6.6005    2.9698    1.7331 C   0  0  0  0  0
    7.6354    2.1416    2.1924 C   0  0  0  0  0
    8.0035    2.1563    3.5390 C   0  0  0  0  0
    7.3547    2.9934    4.4440 C   0  0  0  0  0
    6.3319    3.8272    3.9974 C   0  0  0  0  0
    5.9605    3.8182    2.6514 C   0  0  0  0  0
    9.2733    1.1306    4.0859 Cl  0  0  0  0  0
    3.5090    4.7354   -0.2412 C   0  0  0  0  0
    2.3328    5.4344   -0.4372 C   0  0  0  0  0
    2.6698    6.8093   -0.4627 C   0  0  0  0  0
    4.0301    6.8692   -0.2804 C   0  0  0  0  0
    4.5466    5.6215   -0.1446 O   0  0  0  0  0
    5.4105   -2.7694    0.2282 Br  0  0  0  0  0
    0.4489   -1.1821   -0.2500 H   0  0  0  0  0
    0.4707    0.3148   -1.1943 H   0  0  0  0  0
    0.3272    0.3776    0.5755 H   0  0  0  0  0
    2.5689   -2.1566   -0.0369 H   0  0  0  0  0
    6.1945    0.1254    0.2616 H   0  0  0  0  0
    6.3706    3.9644   -0.1361 H   0  0  0  0  0
    6.8685    2.3127   -0.3002 H   0  0  0  0  0
    8.1608    1.4854    1.5036 H   0  0  0  0  0
    7.6417    3.0035    5.4916 H   0  0  0  0  0
    5.8215    4.4864    4.6955 H   0  0  0  0  0
    5.1625    4.4821    2.3232 H   0  0  0  0  0
    1.3524    4.9909   -0.5475 H   0  0  0  0  0
    2.0040    7.6498   -0.5977 H   0  0  0  0  0
    4.7447    7.6786   -0.2273 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 19  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 35  1  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 23  1  0  0  0
 22 38  1  0  0  0
M  END

>  <Chemical Name>
MLS003231005

>  <PubChem CID>
53299527

>  <Formula>
C19H14BrClN2O

>  <Molecular Weight>
401.688000

>  <IUPAC Name>
6-bromo-3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)-8-methylimidazo[1,2-a]pyridine

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC(=CN2C1=NC(=C2CC3=CC(=CC=C3)Cl)C4=CC=CO4)Br

>  <Isomeric SMILES>
CC1=CC(=CN2C1=NC(=C2CC3=CC(=CC=C3)Cl)C4=CC=CO4)Br

>  <InChI Std. ID>
InChI=1S/C19H14BrClN2O/c1-12-8-14(20)11-23-16(10-13-4-2-5-15(21)9-13)18(22-19(12)23)17-6-3-7-24-17/h2-9,11H,10H2,1H3

>  <InChI Key>
JESMIUAIFXBPCA-UHFFFAOYSA-N

