
 CHEMBL373830

 39 41  0  0  0  0  0  0  0  0999 V2000
    2.1991    0.8125    1.6718 C   0  0  0  0  0
    3.2313   -0.2546    1.3146 C   0  0  0  0  0
    2.5146   -1.6051    1.3667 C   0  0  0  0  0
    1.8254   -2.0696    0.3536 N   0  0  0  0  0
    1.2791   -3.3674    0.8359 C   0  0  0  0  0
    1.9761   -3.6710    2.1659 C   0  0  0  0  0
    2.5214   -2.3778    2.5060 N   0  0  0  0  0
    3.7414   -0.0746   -0.0142 O   0  0  0  0  0
    4.8526    0.7307   -0.0520 C   0  0  0  0  0
    4.6474    2.1152   -0.1117 C   0  0  0  0  0
    5.7258    2.9865   -0.2001 C   0  0  0  0  0
    7.0157    2.4730   -0.2704 C   0  0  0  0  0
    7.2136    1.0888   -0.2675 C   0  0  0  0  0
    6.1418    0.1744   -0.1644 C   0  0  0  0  0
    6.4323   -1.2846   -0.1995 C   0  0  0  0  0
    7.5036   -1.7909    0.5722 C   0  0  0  0  0
    7.9146   -3.1258    0.4880 C   0  0  0  0  0
    7.2556   -4.0018   -0.3654 C   0  0  0  0  0
    6.1812   -3.5431   -1.1208 C   0  0  0  0  0
    5.7726   -2.2085   -1.0313 C   0  0  0  0  0
    4.7175   -1.8792   -1.8388 O   0  0  0  0  0
    2.6799    1.7742    1.8708 H   0  0  0  0  0
    1.6298    0.5398    2.5670 H   0  0  0  0  0
    1.4925    0.9675    0.8482 H   0  0  0  0  0
    4.0399   -0.2757    2.0576 H   0  0  0  0  0
    0.1962   -3.2673    0.9717 H   0  0  0  0  0
    1.4649   -4.1584    0.1025 H   0  0  0  0  0
    2.7808   -4.4000    2.0305 H   0  0  0  0  0
    1.2776   -4.0357    2.9237 H   0  0  0  0  0
    3.3519   -2.3571    3.0850 H   0  0  0  0  0
    3.6374    2.5185   -0.1098 H   0  0  0  0  0
    5.5614    4.0598   -0.2366 H   0  0  0  0  0
    7.8656    3.1439   -0.3564 H   0  0  0  0  0
    8.2342    0.7227   -0.3775 H   0  0  0  0  0
    8.0537   -1.1300    1.2405 H   0  0  0  0  0
    8.7606   -3.4721    1.0759 H   0  0  0  0  0
    7.5786   -5.0354   -0.4500 H   0  0  0  0  0
    5.6589   -4.2191   -1.7926 H   0  0  0  0  0
    4.1867   -1.2017   -1.3732 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  8  1  0  0  0
  2  3  1  0  0  0
  2 25  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 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  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 31  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 21 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL373830

>  <PubChem CID>
11199581

>  <Formula>
C17H18N2O2

>  <Molecular Weight>
282.343000

>  <IUPAC Name>
2-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]phenol

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=NCCN1)OC2=CC=CC=C2C3=CC=CC=C3O

>  <Isomeric SMILES>
CC(C1=NCCN1)OC2=CC=CC=C2C3=CC=CC=C3O

>  <InChI Std. ID>
InChI=1S/C17H18N2O2/c1-12(17-18-10-11-19-17)21-16-9-5-3-7-14(16)13-6-2-4-8-15(13)20/h2-9,12,20H,10-11H2,1H3,(H,18,19)

>  <InChI Key>
ACFBDYFNLOKRTR-UHFFFAOYSA-N

