
 CHEMBL53764

 40 42  0  0  0  0  0  0  0  0999 V2000
    5.3692   -1.1500   -1.1080 C   0  0  0  0  0
    4.2599   -0.4512   -0.4070 C   0  0  0  0  0
    4.2801    0.8499   -0.1723 N   0  0  0  0  0
    3.0580    1.1623    0.3347 C   0  0  0  0  0
    2.2735    0.0423    0.4205 C   0  0  0  0  0
    3.0464   -1.0205   -0.0133 N   0  0  0  0  0
    2.6210   -2.3858   -0.0280 C   0  0  0  0  0
    3.5497   -3.4393   -0.0007 C   0  0  0  0  0
    3.1025   -4.7811   -0.0130 C   0  0  0  0  0
    1.7314   -5.0264   -0.0334 C   0  0  0  0  0
    0.7819   -4.0029   -0.0457 C   0  0  0  0  0
    1.2493   -2.6826   -0.0410 C   0  0  0  0  0
    1.5615   -6.3907   -0.0351 N   0  0  0  0  0
    2.7771   -7.0177   -0.0146 C   0  0  0  0  0
    3.7647   -6.0516   -0.0008 C   0  0  0  0  0
    5.2435   -6.3018    0.0137 C   0  0  0  0  0
    5.7942   -6.4375    1.4443 C   0  0  0  0  0
    7.2589   -6.6255    1.5084 N   0  0  0  0  0
    7.7041   -6.5579    2.9041 C   0  0  0  0  0
    7.6738   -7.9031    0.9244 C   0  0  0  0  0
    5.9863   -0.4213   -1.6454 H   0  0  0  0  0
    4.9990   -1.8627   -1.8501 H   0  0  0  0  0
    6.0216   -1.6585   -0.3929 H   0  0  0  0  0
    2.8032    2.1762    0.6146 H   0  0  0  0  0
    1.2715   -0.0792    0.8016 H   0  0  0  0  0
    4.6154   -3.2731    0.0794 H   0  0  0  0  0
   -0.2824   -4.2148   -0.0664 H   0  0  0  0  0
    0.4983   -1.8974   -0.0834 H   0  0  0  0  0
    0.6652   -6.8569   -0.0486 H   0  0  0  0  0
    2.8390   -8.0980   -0.0142 H   0  0  0  0  0
    5.7604   -5.4867   -0.5080 H   0  0  0  0  0
    5.4385   -7.2142   -0.5621 H   0  0  0  0  0
    5.2793   -7.2559    1.9659 H   0  0  0  0  0
    5.5373   -5.5160    1.9849 H   0  0  0  0  0
    7.4571   -5.5843    3.3418 H   0  0  0  0  0
    8.7935   -6.6599    2.9674 H   0  0  0  0  0
    7.2483   -7.3409    3.5216 H   0  0  0  0  0
    7.4822   -7.9266   -0.1528 H   0  0  0  0  0
    7.1653   -8.7554    1.3893 H   0  0  0  0  0
    8.7547   -8.0465    1.0380 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 15  1  0  0  0
  9 10  2  0  0  0
 10 13  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 20 38  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL53764

>  <PubChem CID>
10468253

>  <Formula>
C16H20N4

>  <Molecular Weight>
268.364000

>  <IUPAC Name>
N,N-dimethyl-2-[5-(2-methylimidazol-1-yl)-1H-indol-3-yl]ethanamine

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=NC=CN1C2=CC3=C(C=C2)NC=C3CCN(C)C

>  <Isomeric SMILES>
CC1=NC=CN1C2=CC3=C(C=C2)NC=C3CCN(C)C

>  <InChI Std. ID>
InChI=1S/C16H20N4/c1-12-17-7-9-20(12)14-4-5-16-15(10-14)13(11-18-16)6-8-19(2)3/h4-5,7,9-11,18H,6,8H2,1-3H3

>  <InChI Key>
FKWIKKLASAZVLL-UHFFFAOYSA-N

