
 CHEMBL326837

 39 40  0  0  0  0  0  0  0  0999 V2000
    5.3662    0.6102    2.6367 C   0  0  0  0  0
    5.7981    0.5612    1.1813 C   0  0  0  0  0
    4.6737    0.5604    0.2427 N   0  0  0  0  0
    3.9810   -0.7072    0.0050 C   0  0  0  0  0
    2.7305   -0.8748    0.8600 C   0  0  0  0  0
    4.1416    1.6974   -0.3709 C   0  0  0  0  0
    3.1539    1.6645   -1.1066 O   0  0  0  0  0
    4.6918    3.0384   -0.0808 C   0  0  0  0  0
    3.8696    3.8917    0.6709 C   0  0  0  0  0
    4.2414    5.2166    0.8785 C   0  0  0  0  0
    5.4149    5.6991    0.3072 C   0  0  0  0  0
    6.2299    4.8529   -0.4554 C   0  0  0  0  0
    5.8936    3.5052   -0.6389 C   0  0  0  0  0
    6.6524    2.6009   -1.3296 O   0  0  0  0  0
    8.0122    2.8985   -1.6538 C   0  0  0  0  0
    8.8805    2.5691   -0.4929 C   0  0  0  0  0
    9.8198    1.5741   -0.3095 C   0  0  0  0  0
   10.4013    1.6669    0.9291 N   0  0  0  0  0
    9.8310    2.6981    1.5048 C   0  0  0  0  0
    8.9070    3.2781    0.6839 N   0  0  0  0  0
    6.2419    0.7131    3.2845 H   0  0  0  0  0
    4.8492   -0.3075    2.9292 H   0  0  0  0  0
    4.6963    1.4545    2.8252 H   0  0  0  0  0
    6.4057   -0.3317    0.9934 H   0  0  0  0  0
    6.4429    1.4192    0.9920 H   0  0  0  0  0
    4.6739   -1.5379    0.1757 H   0  0  0  0  0
    3.6884   -0.7493   -1.0507 H   0  0  0  0  0
    2.9754   -0.9329    1.9234 H   0  0  0  0  0
    2.2081   -1.7967    0.5881 H   0  0  0  0  0
    2.0359   -0.0389    0.7264 H   0  0  0  0  0
    2.9256    3.5236    1.0668 H   0  0  0  0  0
    3.5986    5.8799    1.4530 H   0  0  0  0  0
    5.6878    6.7434    0.4351 H   0  0  0  0  0
    7.1119    5.2947   -0.9065 H   0  0  0  0  0
    8.1590    3.9189   -2.0192 H   0  0  0  0  0
    8.2776    2.2443   -2.4930 H   0  0  0  0  0
   10.1116    0.7987   -1.0053 H   0  0  0  0  0
   10.0418    3.0684    2.4987 H   0  0  0  0  0
    8.3338    4.0750    0.9241 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  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  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 34  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL326837

>  <PubChem CID>
44343524

>  <Formula>
C15H19N3O2

>  <Molecular Weight>
273.336000

>  <IUPAC Name>
N,N-diethyl-2-(1H-imidazol-5-ylmethoxy)benzamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN(CC)C(=O)C1=CC=CC=C1OCC2=CN=CN2

>  <Isomeric SMILES>
CCN(CC)C(=O)C1=CC=CC=C1OCC2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C15H19N3O2/c1-3-18(4-2)15(19)13-7-5-6-8-14(13)20-10-12-9-16-11-17-12/h5-9,11H,3-4,10H2,1-2H3,(H,16,17)

>  <InChI Key>
ATKNWVZEWKNQHH-UHFFFAOYSA-N

