
 CHEMBL1956191

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.1867   -0.0066   -0.4105 C   0  0  0  0  0
    2.6195   -0.4586   -0.6774 C   0  0  0  0  0
    2.6624   -1.1185   -2.0547 C   0  0  0  0  0
    2.4112   -2.3960   -2.2113 N   0  0  0  0  0
    2.5120   -2.6006   -3.6894 C   0  0  0  0  0
    2.4964   -1.2047   -4.3235 C   0  0  0  0  0
    2.9019   -0.4009   -3.2017 N   0  0  0  0  0
    3.4384    0.7060   -0.6301 O   0  0  0  0  0
    4.7824    0.5665   -0.4005 C   0  0  0  0  0
    5.4540   -0.6554   -0.2864 C   0  0  0  0  0
    6.8296   -0.6891   -0.0307 C   0  0  0  0  0
    7.5511    0.4946    0.1027 C   0  0  0  0  0
    6.8990    1.7183   -0.0265 C   0  0  0  0  0
    5.5239    1.7540   -0.2782 C   0  0  0  0  0
    4.7715    3.3049   -0.4354 Cl  0  0  0  0  0
    1.1160    0.4790    0.5692 H   0  0  0  0  0
    0.4898   -0.8507   -0.4345 H   0  0  0  0  0
    0.8589    0.7290   -1.1539 H   0  0  0  0  0
    2.8863   -1.1816    0.1020 H   0  0  0  0  0
    3.4499   -3.1241   -3.9086 H   0  0  0  0  0
    1.6782   -3.2111   -4.0493 H   0  0  0  0  0
    1.4844   -0.9321   -4.6408 H   0  0  0  0  0
    3.1811   -1.1224   -5.1712 H   0  0  0  0  0
    2.7129    0.5952   -3.1923 H   0  0  0  0  0
    4.9436   -1.6074   -0.3968 H   0  0  0  0  0
    7.3372   -1.6467    0.0621 H   0  0  0  0  0
    8.6193    0.4637    0.3022 H   0  0  0  0  0
    7.4637    2.6421    0.0701 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  8  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 13 14  2  0  0  0
 13 28  1  0  0  0
 14 15  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1956191

>  <PubChem CID>
57345625

>  <Formula>
C11H13ClN2O

>  <Molecular Weight>
224.688000

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

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C1=NCCN1)OC2=CC=CC=C2Cl

>  <Isomeric SMILES>
CC(C1=NCCN1)OC2=CC=CC=C2Cl

>  <InChI Std. ID>
InChI=1S/C11H13ClN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)

>  <InChI Key>
ARHDCTCZSSOSFG-UHFFFAOYSA-N

