
 CHEMBL3220641

 35 35  0  0  0  0  0  0  0  0999 V2000
    4.3546    1.7117    2.9437 C   0  0  0  0  0
    4.5474    3.1770    3.0034 C   0  0  0  0  0
    4.8577    4.1138    2.0353 C   0  0  0  0  0
    4.9228    5.3718    2.5892 N   0  0  0  0  0
    4.6753    5.2084    3.8669 C   0  0  0  0  0
    4.4436    3.8976    4.1669 N   0  0  0  0  0
    5.0961    3.9288    0.5774 C   0  0  0  0  0
    3.8126    3.9666   -0.2555 C   0  0  0  0  0
    2.9873    5.2520   -0.1326 C   0  0  0  0  0
    3.7537    6.5195   -0.5171 C   0  0  0  0  0
    2.8361    7.6538   -0.4989 N   0  0  0  0  0
    3.2015    8.9425   -0.7734 C   0  0  0  0  0
    2.7329   10.0059   -0.2061 N   0  0  0  0  0
    1.7093    9.8748    0.8183 C   0  0  0  0  0
    4.1714    9.1495   -1.7115 N   0  0  0  0  0
    3.9596    8.5547   -3.0116 C   0  0  0  0  0
    3.8425    8.0900   -4.0668 N   0  0  0  0  0
    3.8504    1.4238    2.0159 H   0  0  0  0  0
    3.7439    1.3558    3.7797 H   0  0  0  0  0
    5.3212    1.2000    2.9822 H   0  0  0  0  0
    4.6513    5.9903    4.6140 H   0  0  0  0  0
    4.2330    3.5307    5.0847 H   0  0  0  0  0
    5.5932    2.9645    0.4139 H   0  0  0  0  0
    5.7986    4.6918    0.2221 H   0  0  0  0  0
    3.1717    3.1221    0.0285 H   0  0  0  0  0
    4.0766    3.8131   -1.3092 H   0  0  0  0  0
    2.5956    5.3512    0.8873 H   0  0  0  0  0
    2.1061    5.1538   -0.7804 H   0  0  0  0  0
    4.1849    6.3826   -1.5127 H   0  0  0  0  0
    4.5715    6.7115    0.1840 H   0  0  0  0  0
    2.2005    7.5859    0.2892 H   0  0  0  0  0
    0.8498    9.2908    0.4719 H   0  0  0  0  0
    1.3361   10.8701    1.0810 H   0  0  0  0  0
    2.1198    9.4271    1.7295 H   0  0  0  0  0
    4.3218   10.1478   -1.7854 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 15  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL3220641

>  <PubChem CID>
12769844

>  <Formula>
C11H18N6

>  <Molecular Weight>
234.307000

>  <IUPAC Name>
1-cyano-2-methyl-3-[4-(5-methyl-1H-imidazol-4-yl)butyl]guanidine

>  <XlogP>
0.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(N=CN1)CCCCNC(=NC)NC#N

>  <Isomeric SMILES>
CC1=C(N=CN1)CCCCNC(=NC)NC#N

>  <InChI Std. ID>
InChI=1S/C11H18N6/c1-9-10(17-8-16-9)5-3-4-6-14-11(13-2)15-7-12/h8H,3-6H2,1-2H3,(H,16,17)(H2,13,14,15)

>  <InChI Key>
KJWJXDFLNPYZBC-UHFFFAOYSA-N

