
 CHEMBL83862

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.7882    0.0608    0.4006 C   0  0  0  0  0
    2.2776   -0.1436    0.1828 C   0  0  0  0  0
    3.1169    1.0625    0.5902 C   0  0  0  0  0
    4.4926    0.4733    0.9275 C   0  0  0  0  0
    4.2631   -1.0458    0.9684 C   0  0  0  0  0
    2.8084   -1.2078    1.0391 N   0  0  0  0  0
    5.5535    0.8607   -0.0499 C   0  0  0  0  0
    5.6134    0.8330   -1.4289 C   0  0  0  0  0
    6.8258    1.2833   -1.8783 N   0  0  0  0  0
    7.5059    1.5870   -0.7972 C   0  0  0  0  0
    6.7788    1.3503    0.3336 N   0  0  0  0  0
    0.2273   -0.8374    0.1216 H   0  0  0  0  0
    0.4220    0.8914   -0.2113 H   0  0  0  0  0
    0.5593    0.2882    1.4474 H   0  0  0  0  0
    2.4615   -0.3900   -0.8714 H   0  0  0  0  0
    2.7003    1.5334    1.4903 H   0  0  0  0  0
    3.1380    1.8259   -0.1948 H   0  0  0  0  0
    4.7771    0.8259    1.9284 H   0  0  0  0  0
    4.6504   -1.5509    0.0751 H   0  0  0  0  0
    4.7435   -1.4983    1.8415 H   0  0  0  0  0
    2.5323   -2.1241    0.6886 H   0  0  0  0  0
    4.8467    0.5099   -2.1216 H   0  0  0  0  0
    8.5141    1.9762   -0.7706 H   0  0  0  0  0
    7.0943    1.5084    1.2815 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6 21  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 11 24  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL83862

>  <PubChem CID>
44461245

>  <Formula>
C8H13N3

>  <Molecular Weight>
151.213000

>  <IUPAC Name>
5-[(3S,5S)-5-methylpyrrolidin-3-yl]-1H-imidazole

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1CC(CN1)C2=CN=CN2

>  <Isomeric SMILES>
C[C@H]1C[C@@H](CN1)C2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C8H13N3/c1-6-2-7(3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7-/m0/s1

>  <InChI Key>
CEAXLMXSIPYCJN-BQBZGAKWSA-N

