
 CHEMBL300053

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.6894   -2.6127   -4.9910 C   0  0  0  0  0
    3.5973   -2.2214   -3.8638 C   0  0  0  0  0
    3.1924   -1.2754   -2.9200 C   0  0  0  0  0
    4.0597   -0.8823   -1.8944 C   0  0  0  0  0
    5.3643   -1.3871   -1.8058 C   0  0  0  0  0
    5.7435   -2.3630   -2.7332 C   0  0  0  0  0
    4.8818   -2.7599   -3.7637 C   0  0  0  0  0
    6.1617   -0.9936   -0.7205 N   0  0  0  0  0
    7.6188   -1.1503   -0.8426 C   0  0  0  0  0
    8.3007   -0.5600    0.3872 C   0  0  0  0  0
    9.6052   -0.5056    0.4906 N   0  0  0  0  0
    9.8343    0.0878    1.8399 C   0  0  0  0  0
    8.4891    0.0341    2.5732 C   0  0  0  0  0
    7.5737   -0.1011    1.4657 N   0  0  0  0  0
    1.6432   -2.6086   -4.6680 H   0  0  0  0  0
    2.9165   -3.6237   -5.3452 H   0  0  0  0  0
    2.8067   -1.9134   -5.8247 H   0  0  0  0  0
    2.1969   -0.8405   -2.9688 H   0  0  0  0  0
    3.7039   -0.1631   -1.1608 H   0  0  0  0  0
    6.7192   -2.8357   -2.6837 H   0  0  0  0  0
    5.2244   -3.5016   -4.4819 H   0  0  0  0  0
    5.9310   -0.0424   -0.4343 H   0  0  0  0  0
    7.9984   -0.6259   -1.7267 H   0  0  0  0  0
    7.9011   -2.2073   -0.8892 H   0  0  0  0  0
   10.6023   -0.4748    2.3797 H   0  0  0  0  0
   10.1789    1.1207    1.7179 H   0  0  0  0  0
    8.3008    0.9349    3.1632 H   0  0  0  0  0
    8.4328   -0.8461    3.2220 H   0  0  0  0  0
    6.7027   -0.6015    1.6236 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  2  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 20  1  0  0  0
  7 21  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 25  1  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 13 28  1  0  0  0
 14 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL300053

>  <PubChem CID>
13123527

>  <Formula>
C11H15N3

>  <Molecular Weight>
189.262000

>  <IUPAC Name>
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=C(C=C1)NCC2=NCCN2

>  <Isomeric SMILES>
CC1=CC=C(C=C1)NCC2=NCCN2

>  <InChI Std. ID>
InChI=1S/C11H15N3/c1-9-2-4-10(5-3-9)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)

>  <InChI Key>
DUWYZPORHIKSDF-UHFFFAOYSA-N

