
 CHEMBL576623

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.8885    0.5211   -0.6652 C   0  0  0  0  0
    2.3000   -0.0106   -0.4107 C   0  0  0  0  0
    2.7647   -0.9077   -1.5519 C   0  0  0  0  0
    2.9756   -0.3355   -2.8255 C   0  0  0  0  0
    3.4053   -1.1065   -3.9020 C   0  0  0  0  0
    3.6447   -2.4605   -3.7211 C   0  0  0  0  0
    3.4505   -3.0380   -2.4651 C   0  0  0  0  0
    2.9957   -2.2931   -1.3570 C   0  0  0  0  0
    2.8185   -2.9666   -0.0089 C   0  0  0  0  0
    1.4220   -3.2480    0.5013 C   0  0  0  0  0
    2.3134   -4.3867    0.1156 C   0  0  0  0  0
    3.1719    1.1367   -0.3062 O   0  0  0  0  0
    4.2073    1.0453    0.5454 C   0  0  0  0  0
    4.5197    0.0130    1.2717 N   0  0  0  0  0
    5.7636    0.4654    1.9637 C   0  0  0  0  0
    6.2163    1.7515    1.2534 C   0  0  0  0  0
    4.9965    2.1487    0.5955 N   0  0  0  0  0
    0.5661    1.1472    0.1743 H   0  0  0  0  0
    0.1686   -0.2941   -0.7889 H   0  0  0  0  0
    0.8473    1.1587   -1.5557 H   0  0  0  0  0
    2.2705   -0.5419    0.5451 H   0  0  0  0  0
    2.8089    0.7294   -2.9758 H   0  0  0  0  0
    3.5602   -0.6478   -4.8744 H   0  0  0  0  0
    3.9893   -3.0708   -4.5512 H   0  0  0  0  0
    3.6642   -4.0982   -2.3456 H   0  0  0  0  0
    3.5518   -2.6700    0.7412 H   0  0  0  0  0
    0.5770   -3.0329   -0.1430 H   0  0  0  0  0
    1.2291   -3.0864    1.5554 H   0  0  0  0  0
    2.7329   -4.9972    0.9076 H   0  0  0  0  0
    2.0478   -4.9454   -0.7736 H   0  0  0  0  0
    5.5325    0.6563    3.0177 H   0  0  0  0  0
    6.5350   -0.3091    1.9094 H   0  0  0  0  0
    6.9956    1.5354    0.5151 H   0  0  0  0  0
    6.5781    2.5077    1.9551 H   0  0  0  0  0
    5.0543    2.6681   -0.2699 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 12  1  0  0  0
  2  3  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 22  1  0  0  0
  5  6  2  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 12 13  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 31  1  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL576623

>  <PubChem CID>
45487956

>  <Formula>
C14H18N2O

>  <Molecular Weight>
230.311000

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

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C1=CC=CC=C1C2CC2)OC3=NCCN3

>  <Isomeric SMILES>
CC(C1=CC=CC=C1C2CC2)OC3=NCCN3

>  <InChI Std. ID>
InChI=1S/C14H18N2O/c1-10(17-14-15-8-9-16-14)12-4-2-3-5-13(12)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)

>  <InChI Key>
BGPHEWUAKSHOBD-UHFFFAOYSA-N

