
 CHEMBL266613

 37 38  0  0  0  0  0  0  0  0999 V2000
    2.8531   -0.2356    1.6616 C   0  0  0  0  0
    2.8391    0.1566    0.1801 C   0  0  0  0  0
    1.8205   -0.6865   -0.5936 C   0  0  0  0  0
    2.5750    1.6457   -0.0145 C   0  0  0  0  0
    1.3956    2.2163    0.5083 C   0  0  0  0  0
    1.1150    3.5703    0.3440 C   0  0  0  0  0
    1.9991    4.3751   -0.3619 C   0  0  0  0  0
    3.1663    3.8277   -0.8994 C   0  0  0  0  0
    3.4748    2.4738   -0.7214 C   0  0  0  0  0
    4.6088    1.8674   -1.2003 O   0  0  0  0  0
    5.6317    2.6742   -1.7871 C   0  0  0  0  0
    6.9622    1.9564   -1.5787 C   0  0  0  0  0
    5.3664    2.8183   -3.2840 C   0  0  0  0  0
    5.2079    3.9909   -3.8451 N   0  0  0  0  0
    4.9235    3.6784   -5.2748 C   0  0  0  0  0
    4.7197    2.1628   -5.3709 C   0  0  0  0  0
    5.2522    1.7198   -4.1055 N   0  0  0  0  0
    3.5854    0.3614    2.2166 H   0  0  0  0  0
    3.1247   -1.2907    1.7767 H   0  0  0  0  0
    1.8768   -0.0953    2.1377 H   0  0  0  0  0
    3.8287   -0.1005   -0.2139 H   0  0  0  0  0
    0.7963   -0.5199   -0.2422 H   0  0  0  0  0
    2.0389   -1.7546   -0.4838 H   0  0  0  0  0
    1.8485   -0.4474   -1.6631 H   0  0  0  0  0
    0.6810    1.6024    1.0515 H   0  0  0  0  0
    0.2045    3.9930    0.7592 H   0  0  0  0  0
    1.7830    5.4308   -0.5024 H   0  0  0  0  0
    3.8079    4.4980   -1.4638 H   0  0  0  0  0
    5.7202    3.6571   -1.3119 H   0  0  0  0  0
    6.9376    0.9392   -1.9833 H   0  0  0  0  0
    7.1794    1.8645   -0.5090 H   0  0  0  0  0
    7.7832    2.4982   -2.0586 H   0  0  0  0  0
    4.0300    4.2147   -5.6096 H   0  0  0  0  0
    5.7715    4.0026   -5.8869 H   0  0  0  0  0
    5.2597    1.7280   -6.2153 H   0  0  0  0  0
    3.6566    1.9094   -5.4503 H   0  0  0  0  0
    4.8388    0.8965   -3.6768 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  4  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL266613

>  <PubChem CID>
44269089

>  <Formula>
C14H20N2O

>  <Molecular Weight>
232.327000

>  <IUPAC Name>
2-[1-(2-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1H-imidazole

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)C1=CC=CC=C1OC(C)C2=NCCN2

>  <Isomeric SMILES>
CC(C)C1=CC=CC=C1OC(C)C2=NCCN2

>  <InChI Std. ID>
InChI=1S/C14H20N2O/c1-10(2)12-6-4-5-7-13(12)17-11(3)14-15-8-9-16-14/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)

>  <InChI Key>
DAEHQHNTEAMXQC-UHFFFAOYSA-N

