
 CIPRALISANT

 36 37  0  0  0  0  0  0  0  0999 V2000
    0.8265    0.1924    0.1694 C   0  0  0  0  0
    2.3550    0.0023    0.0963 C   0  0  0  0  0
    2.8051   -0.8010    1.3273 C   0  0  0  0  0
    2.6866   -0.7914   -1.1776 C   0  0  0  0  0
    3.0139    1.4067    0.0709 C   0  0  0  0  0
    4.5474    1.4328    0.0000 C   0  0  0  0  0
    5.0294    2.7940    0.0000 C   0  0  0  0  0
    5.4267    3.9159    0.0000 C   0  0  0  0  0
    6.0416    5.2016   -0.1594 C   0  0  0  0  0
    5.2669    6.2692   -0.8613 C   0  0  0  0  0
    5.5444    6.4027    0.6203 C   0  0  0  0  0
    6.5529    7.4454    1.0663 C   0  0  0  0  0
    7.7200    7.8473    0.4564 C   0  0  0  0  0
    8.3435    8.8212    1.1948 N   0  0  0  0  0
    7.5690    9.0122    2.2373 C   0  0  0  0  0
    6.4710    8.1995    2.2050 N   0  0  0  0  0
    0.4563    0.7589   -0.6927 H   0  0  0  0  0
    0.5383    0.7371    1.0757 H   0  0  0  0  0
    0.3053   -0.7715    0.1816 H   0  0  0  0  0
    2.6334   -0.2372    2.2510 H   0  0  0  0  0
    3.8689   -1.0551    1.2796 H   0  0  0  0  0
    2.2512   -1.7436    1.4062 H   0  0  0  0  0
    2.4106   -0.2289   -2.0764 H   0  0  0  0  0
    2.1423   -1.7426   -1.2012 H   0  0  0  0  0
    3.7533   -1.0288   -1.2422 H   0  0  0  0  0
    2.6948    1.9626    0.9645 H   0  0  0  0  0
    2.6145    1.9699   -0.7850 H   0  0  0  0  0
    4.8927    0.9248   -0.9062 H   0  0  0  0  0
    4.9752    0.8971    0.8535 H   0  0  0  0  0
    7.1052    5.1543   -0.3763 H   0  0  0  0  0
    4.2453    6.0635   -1.1626 H   0  0  0  0  0
    5.7985    6.9021   -1.5627 H   0  0  0  0  0
    4.7017    6.2546    1.2885 H   0  0  0  0  0
    8.1520    7.4925   -0.4704 H   0  0  0  0  0
    7.7481    9.7164    3.0390 H   0  0  0  0  0
    5.7348    8.1681    2.8954 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  3  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 36  1  0  0  0
M  END

>  <Chemical Name>
CIPRALISANT

>  <PubChem CID>
6450823

>  <Formula>
C14H20N2

>  <Molecular Weight>
216.328000

>  <IUPAC Name>
5-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1H-imidazole

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C)(C)CCC#CC1CC1C2=CN=CN2

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

>  <InChI Std. ID>
InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1

>  <InChI Key>
CVKJAXCQPFOAIN-VXGBXAGGSA-N

