
 CHEMBL2206397

 34 35  0  0  0  0  0  0  0  0999 V2000
    1.0564    0.1510    1.1915 C   0  0  0  0  0
    2.1191    0.1813    0.1005 C   0  0  0  0  0
    2.9521    1.4504    0.1261 C   0  0  0  0  0
    4.2764    1.5276    0.6451 C   0  0  0  0  0
    4.9508    2.7808    0.6205 C   0  0  0  0  0
    4.3009    3.9093    0.0822 C   0  0  0  0  0
    3.0139    3.8222   -0.4298 C   0  0  0  0  0
    2.3461    2.6057   -0.4053 C   0  0  0  0  0
    6.3522    3.0083    1.1562 C   0  0  0  0  0
    6.3506    3.4949    2.5977 C   0  0  0  0  0
    4.9508    0.2926    1.2293 C   0  0  0  0  0
    4.6392    0.0007    2.6651 C   0  0  0  0  0
    5.0698   -1.0437    3.3477 N   0  0  0  0  0
    4.5495   -0.9122    4.6075 C   0  0  0  0  0
    3.7890    0.2264    4.7012 C   0  0  0  0  0
    3.8608    0.8043    3.4652 N   0  0  0  0  0
    0.4758   -0.7743    1.1236 H   0  0  0  0  0
    0.3613    0.9913    1.0990 H   0  0  0  0  0
    1.5014    0.1943    2.1876 H   0  0  0  0  0
    1.6273    0.1082   -0.8794 H   0  0  0  0  0
    2.7341   -0.7185    0.1702 H   0  0  0  0  0
    4.8089    4.8716    0.0548 H   0  0  0  0  0
    2.5334    4.7006   -0.8518 H   0  0  0  0  0
    1.3383    2.5549   -0.8145 H   0  0  0  0  0
    6.8537    3.7587    0.5303 H   0  0  0  0  0
    6.9759    2.1171    1.0595 H   0  0  0  0  0
    5.7964    4.4335    2.7008 H   0  0  0  0  0
    7.3768    3.6711    2.9366 H   0  0  0  0  0
    5.8972    2.7622    3.2702 H   0  0  0  0  0
    6.0375    0.3554    1.1248 H   0  0  0  0  0
    4.7049   -0.5872    0.6251 H   0  0  0  0  0
    4.7492   -1.6458    5.3776 H   0  0  0  0  0
    3.2236    0.6625    5.5117 H   0  0  0  0  0
    3.4144    1.6639    3.1720 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  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2206397

>  <PubChem CID>
24781869

>  <Formula>
C14H18N2

>  <Molecular Weight>
214.312000

>  <IUPAC Name>
2-[(2,6-diethylphenyl)methyl]-1H-imidazole

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCC1=C(C(=CC=C1)CC)CC2=NC=CN2

>  <Isomeric SMILES>
CCC1=C(C(=CC=C1)CC)CC2=NC=CN2

>  <InChI Std. ID>
InChI=1S/C14H18N2/c1-3-11-6-5-7-12(4-2)13(11)10-14-15-8-9-16-14/h5-9H,3-4,10H2,1-2H3,(H,15,16)

>  <InChI Key>
NIRASHDWADNQJU-UHFFFAOYSA-N

