
 CHEMBL1222489

 68 71  0  0  0  0  0  0  0  0999 V2000
    1.8158   -0.7980    1.7236 C   0  0  0  0  0
    2.6412   -0.6785    0.4402 C   0  0  0  0  0
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    3.7024    5.8376    0.3462 N   0  0  0  0  0
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    5.6187    6.6602   -0.5377 C   0  0  0  0  0
    5.5840    5.2817   -0.6769 N   0  0  0  0  0
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    7.7197    4.0146   -1.0473 C   0  0  0  0  0
    8.4331    3.3871   -2.1191 O   0  0  0  0  0
    9.6889    2.8752   -1.6988 C   0  0  0  0  0
    7.7630    7.2169   -1.3911 O   0  0  0  0  0
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    6.0187   11.7135   -2.6117 O   0  0  0  0  0
    6.7131   12.6126   -3.4695 C   0  0  0  0  0
    2.6274    8.5826    0.7973 C   0  0  0  0  0
    2.5036    9.8135    1.3740 F   0  0  0  0  0
    1.6274    8.5199   -0.1284 F   0  0  0  0  0
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    0.9106   -0.1820    1.6787 H   0  0  0  0  0
    3.5298   -1.3151    0.5488 H   0  0  0  0  0
    0.8889   -0.7381   -0.8777 H   0  0  0  0  0
    1.6629   -2.3016   -0.6191 H   0  0  0  0  0
    2.4224   -1.1098   -1.6857 H   0  0  0  0  0
    4.9977    0.4065    1.2619 H   0  0  0  0  0
    5.7622    2.7286    1.1020 H   0  0  0  0  0
    2.1089    3.8032   -0.9025 H   0  0  0  0  0
    1.3166    1.4951   -0.7156 H   0  0  0  0  0
    6.8045    9.7581   -1.1013 H   0  0  0  0  0
    6.5865    5.1677   -2.4825 H   0  0  0  0  0
    5.8095    3.6960   -2.0020 H   0  0  0  0  0
    7.5440    3.2803   -0.2555 H   0  0  0  0  0
    8.3238    4.8272   -0.6314 H   0  0  0  0  0
   10.1851    2.4319   -2.5668 H   0  0  0  0  0
    9.5497    2.0983   -0.9415 H   0  0  0  0  0
   10.3208    3.6783   -1.3081 H   0  0  0  0  0
    8.8640    8.9811   -1.5446 H   0  0  0  0  0
    7.9073    8.5228   -3.0085 H   0  0  0  0  0
    9.3749    7.6364   -2.5679 H   0  0  0  0  0
    5.3715   11.4136   -0.2384 H   0  0  0  0  0
    3.8024   11.1128    0.3719 H   0  0  0  0  0
    1.8556   10.6645   -1.1528 H   0  0  0  0  0
    0.8530   11.0613   -3.3569 H   0  0  0  0  0
    2.2714   11.7613   -5.2664 H   0  0  0  0  0
    4.6790   12.0722   -4.9696 H   0  0  0  0  0
    7.7021   12.7882   -3.0356 H   0  0  0  0  0
    6.2011   13.5787   -3.5356 H   0  0  0  0  0
    6.8611   12.1737   -4.4612 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
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  2  3  1  0  0  0
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  3 42  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1222489

>  <PubChem CID>
49864798

>  <Formula>
C29H31F3N2O3

>  <Molecular Weight>
512.573000

>  <IUPAC Name>
7-methoxy-1-(2-methoxyethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazole

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)C1=CC=C(C=C1)C2=NC3=C(C(=CC(=C3N2CCOC)OC)CC4=CC=CC=C4OC)C(F)(F)F

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=C1)C2=NC3=C(C(=CC(=C3N2CCOC)OC)CC4=CC=CC=C4OC)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C29H31F3N2O3/c1-18(2)19-10-12-20(13-11-19)28-33-26-25(29(30,31)32)22(16-21-8-6-7-9-23(21)36-4)17-24(37-5)27(26)34(28)14-15-35-3/h6-13,17-18H,14-16H2,1-5H3

>  <InChI Key>
CUUQJCBKILQBIV-UHFFFAOYSA-N

