
 CHEMBL576078

 37 38  0  0  0  0  0  0  0  0999 V2000
    0.7308    1.7904   -0.9703 C   0  0  0  0  0
    2.2435    1.6753   -1.0685 C   0  0  0  0  0
    2.8832    1.4925    0.3088 C   0  0  0  0  0
    4.3907    1.3581    0.2291 C   0  0  0  0  0
    5.1420    2.5512    0.2625 C   0  0  0  0  0
    6.5334    2.5359    0.1887 C   0  0  0  0  0
    7.2026    1.3264    0.0696 C   0  0  0  0  0
    6.4784    0.1355    0.0226 C   0  0  0  0  0
    5.0687    0.1212    0.1062 C   0  0  0  0  0
    4.3472   -1.2222    0.0317 C   0  0  0  0  0
    4.2200   -1.6925   -1.4169 C   0  0  0  0  0
    5.1189   -2.2089    0.7569 O   0  0  0  0  0
    4.4559   -3.2405    1.3043 C   0  0  0  0  0
    3.1700   -3.4337    1.2669 N   0  0  0  0  0
    3.0213   -4.7291    1.9976 C   0  0  0  0  0
    4.4272   -5.3473    2.0696 C   0  0  0  0  0
    5.2452   -4.1740    1.8928 N   0  0  0  0  0
    0.2949    1.9110   -1.9671 H   0  0  0  0  0
    0.4406    2.6556   -0.3660 H   0  0  0  0  0
    0.2978    0.8924   -0.5181 H   0  0  0  0  0
    2.6414    2.5749   -1.5533 H   0  0  0  0  0
    2.4893    0.8330   -1.7212 H   0  0  0  0  0
    2.4399    0.6423    0.8352 H   0  0  0  0  0
    2.6384    2.3594    0.9382 H   0  0  0  0  0
    4.6359    3.5109    0.3504 H   0  0  0  0  0
    7.0908    3.4674    0.2238 H   0  0  0  0  0
    8.2874    1.3050    0.0135 H   0  0  0  0  0
    7.0260   -0.8008   -0.0738 H   0  0  0  0  0
    3.3589   -1.1364    0.4875 H   0  0  0  0  0
    5.2003   -1.9339   -1.8440 H   0  0  0  0  0
    3.7458   -0.9435   -2.0558 H   0  0  0  0  0
    3.6260   -2.6113   -1.4715 H   0  0  0  0  0
    2.6300   -4.5249    3.0008 H   0  0  0  0  0
    2.3220   -5.3883    1.4752 H   0  0  0  0  0
    4.5846   -6.0480    1.2431 H   0  0  0  0  0
    4.6155   -5.8529    3.0198 H   0  0  0  0  0
    6.1669   -4.2713    1.4898 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  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  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 12  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 11 32  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 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>
CHEMBL576078

>  <PubChem CID>
45487955

>  <Formula>
C14H20N2O

>  <Molecular Weight>
232.327000

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

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCC1=CC=CC=C1C(C)OC2=NCCN2

>  <Isomeric SMILES>
CCCC1=CC=CC=C1C(C)OC2=NCCN2

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

>  <InChI Key>
CKZOGIXOGHVXNW-UHFFFAOYSA-N

