
 CHEMBL1082339

 56 59  0  0  0  0  0  0  0  0999 V2000
    0.7596   -0.6029   -0.4081 C   0  0  0  0  0
    2.2337   -0.3317   -0.4983 C   0  0  0  0  0
    2.7019    0.9297   -0.8587 C   0  0  0  0  0
    4.0833    1.2002   -0.9514 C   0  0  0  0  0
    5.0348    0.1970   -0.6268 C   0  0  0  0  0
    4.5426   -1.0627   -0.1820 C   0  0  0  0  0
    3.1540   -1.3131   -0.1536 C   0  0  0  0  0
    5.4250   -2.1833    0.3083 C   0  0  0  0  0
    6.4294    0.4432   -0.7375 N   0  0  0  0  0
    7.3970   -0.2971   -1.4581 C   0  0  0  0  0
    8.6226    0.2298   -1.2810 C   0  0  0  0  0
    8.4331    1.3330   -0.4800 N   0  0  0  0  0
    7.1051    1.4891   -0.1619 C   0  0  0  0  0
    6.8930    2.5833    0.5206 N   0  0  0  0  0
    8.1596    3.1852    0.6297 C   0  0  0  0  0
    9.1402    2.3646    0.0592 C   0  0  0  0  0
   10.6183    2.4953   -0.0133 C   0  0  0  0  0
   11.2304    2.3591    1.3177 N   0  0  0  0  0
   11.0378    1.0091    1.8653 C   0  0  0  0  0
   12.6711    2.6835    1.2295 C   0  0  0  0  0
   13.3603    2.8179    2.5713 C   0  0  0  0  0
   14.0672    1.7392    3.1276 C   0  0  0  0  0
   14.6903    1.8626    4.3720 C   0  0  0  0  0
   14.6292    3.0690    5.0657 C   0  0  0  0  0
   13.9353    4.1496    4.5221 C   0  0  0  0  0
   13.2963    4.0222    3.2856 C   0  0  0  0  0
    8.3477    4.5446    1.2496 C   0  0  0  0  0
    8.8822    4.4874    2.4943 F   0  0  0  0  0
    9.1842    5.3156    0.4940 F   0  0  0  0  0
    7.1861    5.2414    1.3477 F   0  0  0  0  0
    7.0061   -1.5374   -2.5410 Cl  0  0  0  0  0
    4.4641    2.5955   -1.3780 C   0  0  0  0  0
    0.5327   -1.6208   -0.7455 H   0  0  0  0  0
    0.1907    0.0822   -1.0463 H   0  0  0  0  0
    0.4172   -0.4853    0.6242 H   0  0  0  0  0
    1.9879    1.7182   -1.0848 H   0  0  0  0  0
    2.7945   -2.2914    0.1644 H   0  0  0  0  0
    4.9614   -2.6827    1.1675 H   0  0  0  0  0
    6.3990   -1.8279    0.6542 H   0  0  0  0  0
    5.5616   -2.9323   -0.4792 H   0  0  0  0  0
    9.5690   -0.0484   -1.7068 H   0  0  0  0  0
   10.8367    3.4911   -0.4209 H   0  0  0  0  0
   11.0483    1.7707   -0.7164 H   0  0  0  0  0
    9.9767    0.7497    1.9423 H   0  0  0  0  0
   11.4157    0.9365    2.8894 H   0  0  0  0  0
   11.5315    0.2443    1.2546 H   0  0  0  0  0
   12.8004    3.6439    0.7117 H   0  0  0  0  0
   13.2022    1.9441    0.6137 H   0  0  0  0  0
   14.1211    0.7893    2.6030 H   0  0  0  0  0
   15.2197    1.0159    4.8013 H   0  0  0  0  0
   15.1156    3.1670    6.0319 H   0  0  0  0  0
   13.8864    5.0904    5.0628 H   0  0  0  0  0
   12.7470    4.8689    2.8813 H   0  0  0  0  0
    5.3678    2.6017   -1.9924 H   0  0  0  0  0
    4.6013    3.2323   -0.4996 H   0  0  0  0  0
    3.6764    3.0441   -1.9940 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 37  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
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 32 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1082339

>  <PubChem CID>
21916299

>  <Formula>
C24H24ClF3N4

>  <Molecular Weight>
460.929000

>  <IUPAC Name>
N-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=C(C(=C1)C)N2C(=CN3C2=NC(=C3CN(C)CC4=CC=CC=C4)C(F)(F)F)Cl)C

>  <Isomeric SMILES>
CC1=CC(=C(C(=C1)C)N2C(=CN3C2=NC(=C3CN(C)CC4=CC=CC=C4)C(F)(F)F)Cl)C

>  <InChI Std. ID>
InChI=1S/C24H24ClF3N4/c1-15-10-16(2)21(17(3)11-15)32-20(25)14-31-19(22(24(26,27)28)29-23(31)32)13-30(4)12-18-8-6-5-7-9-18/h5-11,14H,12-13H2,1-4H3

>  <InChI Key>
ANZDEWUXVOGMOY-UHFFFAOYSA-N

