
 CHEMBL222424

 60 64  0  0  0  0  0  0  0  0999 V2000
    1.0471    1.3781   -0.0618 C   0  0  0  0  0
   -0.3570    1.7936    0.3826 C   0  0  0  0  0
   -1.3465    0.7187    0.2253 N   0  0  0  0  0
   -0.9017   -0.5349    0.8668 C   0  0  0  0  0
    0.4844   -0.9802    0.4124 C   0  0  0  0  0
    1.5306    0.1137    0.6559 C   0  0  0  0  0
    1.8676    0.2925    2.0798 N   0  0  0  0  0
    1.9490    1.5697    2.7758 C   0  0  0  0  0
    2.9188    1.3050    3.9611 C   0  0  0  0  0
    2.7945   -0.1359    4.0936 N   0  0  0  0  0
    2.3997   -0.7076    2.8925 C   0  0  0  0  0
    2.5539   -1.8849    2.6204 O   0  0  0  0  0
    2.3936    2.0827    5.1820 C   0  0  0  0  0
    2.4572    3.4951    5.1893 C   0  0  0  0  0
    1.9824    4.2298    6.2774 C   0  0  0  0  0
    1.4324    3.5653    7.3647 C   0  0  0  0  0
    1.3460    2.1794    7.3825 C   0  0  0  0  0
    1.8227    1.4382    6.2980 C   0  0  0  0  0
    0.9763    4.2700    8.4088 F   0  0  0  0  0
    4.4097    1.6056    3.6492 C   0  0  0  0  0
    5.3329    1.7960    4.6974 C   0  0  0  0  0
    6.6818    2.0479    4.4354 C   0  0  0  0  0
    7.1300    2.0930    3.1232 C   0  0  0  0  0
    6.2570    1.8702    2.0687 C   0  0  0  0  0
    4.9072    1.6260    2.3295 C   0  0  0  0  0
    8.4227    2.3303    2.8716 F   0  0  0  0  0
   -2.6576    1.0912    0.8079 C   0  0  0  0  0
   -3.2136    2.4246    0.3544 C   0  0  0  0  0
   -3.4203    3.4543    1.2869 C   0  0  0  0  0
   -3.9247    4.6894    0.8798 C   0  0  0  0  0
   -4.2274    4.9078   -0.4621 C   0  0  0  0  0
   -4.0285    3.8921   -1.3971 C   0  0  0  0  0
   -3.5260    2.6549   -0.9917 C   0  0  0  0  0
    1.0277    1.1831   -1.1430 H   0  0  0  0  0
    1.7470    2.2091    0.0738 H   0  0  0  0  0
   -0.6373    2.6524   -0.2386 H   0  0  0  0  0
   -0.3389    2.1490    1.4170 H   0  0  0  0  0
   -0.9010   -0.4355    1.9601 H   0  0  0  0  0
   -1.6111   -1.3335    0.6163 H   0  0  0  0  0
    0.7496   -1.9147    0.9162 H   0  0  0  0  0
    0.4519   -1.2120   -0.6611 H   0  0  0  0  0
    2.4684   -0.2101    0.1861 H   0  0  0  0  0
    0.9339    1.7896    3.1269 H   0  0  0  0  0
    2.2828    2.3849    2.1302 H   0  0  0  0  0
    3.4148   -0.6854    4.6712 H   0  0  0  0  0
    2.8896    4.0336    4.3479 H   0  0  0  0  0
    2.0402    5.3136    6.2846 H   0  0  0  0  0
    0.9056    1.6817    8.2404 H   0  0  0  0  0
    1.7319    0.3551    6.3304 H   0  0  0  0  0
    5.0114    1.7521    5.7390 H   0  0  0  0  0
    7.3827    2.2096    5.2465 H   0  0  0  0  0
    6.6312    1.8868    1.0495 H   0  0  0  0  0
    4.2653    1.4300    1.4768 H   0  0  0  0  0
   -2.5915    1.0924    1.9050 H   0  0  0  0  0
   -3.3978    0.3231    0.5469 H   0  0  0  0  0
   -3.1860    3.2992    2.3377 H   0  0  0  0  0
   -4.0801    5.4788    1.6101 H   0  0  0  0  0
   -4.6193    5.8707   -0.7793 H   0  0  0  0  0
   -4.2622    4.0656   -2.4437 H   0  0  0  0  0
   -3.3622    1.8707   -1.7282 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 10  1  0  0  0
  9 20  1  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 45  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 46  1  0  0  0
 15 16  2  0  0  0
 15 47  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 48  1  0  0  0
 18 49  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
 22 23  2  0  0  0
 22 51  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 52  1  0  0  0
 25 53  1  0  0  0
 27 28  1  0  0  0
 27 54  1  0  0  0
 27 55  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 56  1  0  0  0
 30 31  2  0  0  0
 30 57  1  0  0  0
 31 32  1  0  0  0
 31 58  1  0  0  0
 32 33  2  0  0  0
 32 59  1  0  0  0
 33 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL222424

>  <PubChem CID>
16125372

>  <Formula>
C27H27F2N3O

>  <Molecular Weight>
447.530000

>  <IUPAC Name>
1-(1-benzylpiperidin-4-yl)-4,4-bis(4-fluorophenyl)imidazolidin-2-one

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1N2CC(NC2=O)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCC1N2CC(NC2=O)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H27F2N3O/c28-23-10-6-21(7-11-23)27(22-8-12-24(29)13-9-22)19-32(26(33)30-27)25-14-16-31(17-15-25)18-20-4-2-1-3-5-20/h1-13,25H,14-19H2,(H,30,33)

>  <InChI Key>
DLFIQCGXPLUMEB-UHFFFAOYSA-N

