
 BIMU-8

 51 54  0  0  0  0  0  0  0  0999 V2000
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   -1.5759    3.6061   -1.7599 C   0  0  0  0  0
   -1.4890    4.2951   -3.1234 C   0  0  0  0  0
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   -0.4164    1.6302   -0.6874 C   0  0  0  0  0
   -1.4931    0.9300   -0.1728 C   0  0  0  0  0
   -1.2254   -0.2315    0.5565 C   0  0  0  0  0
    0.0959   -0.6646    0.7560 C   0  0  0  0  0
    1.1731    0.0584    0.2332 C   0  0  0  0  0
    0.8990    1.2087   -0.4863 C   0  0  0  0  0
    1.7692    2.1435   -1.0943 N   0  0  0  0  0
    0.9585    3.1753   -1.6650 C   0  0  0  0  0
    1.3670    4.1786   -2.2367 O   0  0  0  0  0
    3.1564    2.0343   -1.1055 C   0  0  0  0  0
    3.7814    1.0937   -0.6217 O   0  0  0  0  0
    3.8198    3.0866   -1.7033 N   0  0  0  0  0
    5.2784    3.1387   -1.7871 C   0  0  0  0  0
    5.8261    2.2453   -2.9212 C   0  0  0  0  0
    6.2146    3.0103   -4.1966 C   0  0  0  0  0
    5.0175    3.7164   -4.8354 C   0  0  0  0  0
    4.9990    5.0996   -4.1920 C   0  0  0  0  0
    6.1840    5.0904   -3.2255 C   0  0  0  0  0
    5.7927    4.5914   -1.8254 C   0  0  0  0  0
    7.1181    4.0939   -3.7746 N   0  0  0  0  0
    7.9293    4.6175   -4.8701 C   0  0  0  0  0
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   -2.7807    5.1894   -0.8859 H   0  0  0  0  0
   -1.0450    5.3381   -0.5459 H   0  0  0  0  0
   -2.4262    2.9170   -1.8250 H   0  0  0  0  0
   -0.7711    5.1213   -3.1197 H   0  0  0  0  0
   -2.4625    4.7134   -3.4018 H   0  0  0  0  0
   -1.1898    3.5867   -3.9030 H   0  0  0  0  0
   -2.5169    1.2547   -0.3145 H   0  0  0  0  0
   -2.0467   -0.8078    0.9774 H   0  0  0  0  0
    0.2857   -1.5704    1.3288 H   0  0  0  0  0
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    5.1171    1.4466   -3.1719 H   0  0  0  0  0
    6.7290    1.7432   -2.5465 H   0  0  0  0  0
    6.6895    2.3103   -4.8942 H   0  0  0  0  0
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    5.1422    5.8626   -4.9669 H   0  0  0  0  0
    4.0459    5.3115   -3.6985 H   0  0  0  0  0
    6.6342    6.0854   -3.1297 H   0  0  0  0  0
    6.6902    4.6448   -1.1929 H   0  0  0  0  0
    5.0629    5.2749   -1.3738 H   0  0  0  0  0
    8.5920    3.8338   -5.2538 H   0  0  0  0  0
    8.5772    5.4218   -4.5041 H   0  0  0  0  0
    7.3435    5.0079   -5.7083 H   0  0  0  0  0
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M  END

>  <Chemical Name>
BIMU-8

>  <PubChem CID>
5311029

>  <Formula>
C19H26N4O2

>  <Molecular Weight>
342.443000

>  <IUPAC Name>
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NC3CC4CCC(C3)N4C

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NC3C[C@H]4CC[C@@H](C3)N4C

>  <InChI Std. ID>
InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)/t13?,14-,15+

>  <InChI Key>
AFOFVIBWSLOHFR-GOOCMWNKSA-N

