
 CHEMBL1672353

 51 53  0  0  0  0  0  0  0  0999 V2000
   10.2042    3.4195   -0.7654 C   0  0  0  0  0
    9.2408    4.5611   -1.1369 C   0  0  0  0  0
    8.7463    5.2475    0.1484 C   0  0  0  0  0
   10.0221    5.5988   -1.9687 C   0  0  0  0  0
    8.0555    4.0510   -2.0004 C   0  0  0  0  0
    7.1986    3.0186   -1.3484 C   0  0  0  0  0
    6.0585    3.1149   -0.5820 C   0  0  0  0  0
    5.6242    1.8753   -0.1927 N   0  0  0  0  0
    6.4629    1.0162   -0.7372 C   0  0  0  0  0
    7.4342    1.6700   -1.4507 N   0  0  0  0  0
    6.4285   -0.4748   -0.6035 C   0  0  0  0  0
    4.9927   -1.0489   -0.4278 C   0  0  0  0  0
    4.0774   -0.6354   -1.5955 C   0  0  0  0  0
    5.0763   -2.5699   -0.2264 C   0  0  0  0  0
    4.5777   -3.4937   -1.1581 C   0  0  0  0  0
    4.6582   -4.8729   -0.9284 C   0  0  0  0  0
    5.2527   -5.3684    0.2382 C   0  0  0  0  0
    5.7687   -4.4656    1.1721 C   0  0  0  0  0
    5.6722   -3.0868    0.9409 C   0  0  0  0  0
    5.3022   -6.7741    0.4559 N   0  0  0  0  0
    5.8468   -7.4535    1.5276 C   0  0  0  0  0
    5.6357   -8.7946    1.3107 C   0  0  0  0  0
    4.9647   -8.8493    0.0828 C   0  0  0  0  0
    4.7693   -7.6423   -0.4470 N   0  0  0  0  0
    4.4058   -0.5153    0.7721 O   0  0  0  0  0
   10.5408    2.8802   -1.6578 H   0  0  0  0  0
    9.7369    2.6967   -0.0888 H   0  0  0  0  0
   11.0943    3.8064   -0.2562 H   0  0  0  0  0
    8.2465    4.5423    0.8200 H   0  0  0  0  0
    8.0413    6.0541   -0.0807 H   0  0  0  0  0
    9.5819    5.6856    0.7060 H   0  0  0  0  0
   10.4177    5.1524   -2.8881 H   0  0  0  0  0
   10.8702    6.0030   -1.4047 H   0  0  0  0  0
    9.3817    6.4409   -2.2541 H   0  0  0  0  0
    8.4403    3.6423   -2.9451 H   0  0  0  0  0
    7.4178    4.9007   -2.2814 H   0  0  0  0  0
    5.5340    4.0135   -0.2815 H   0  0  0  0  0
    8.2000    1.2338   -1.9456 H   0  0  0  0  0
    7.0426   -0.7188    0.2732 H   0  0  0  0  0
    6.9095   -0.9376   -1.4744 H   0  0  0  0  0
    3.9145    0.4467   -1.6243 H   0  0  0  0  0
    3.0789   -1.0746   -1.4865 H   0  0  0  0  0
    4.4904   -0.9397   -2.5631 H   0  0  0  0  0
    4.0963   -3.1697   -2.0771 H   0  0  0  0  0
    4.2382   -5.5496   -1.6709 H   0  0  0  0  0
    6.2330   -4.7898    2.0975 H   0  0  0  0  0
    6.0486   -2.4025    1.7011 H   0  0  0  0  0
    6.3274   -6.9427    2.3470 H   0  0  0  0  0
    5.9257   -9.6147    1.9520 H   0  0  0  0  0
    4.6093   -9.7200   -0.4535 H   0  0  0  0  0
    4.5078    0.4593    0.7060 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 25  1  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 17  2  0  0  0
 16 45  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 24  1  0  0  0
 21 22  2  0  0  0
 21 48  1  0  0  0
 22 23  1  0  0  0
 22 49  1  0  0  0
 23 24  2  0  0  0
 23 50  1  0  0  0
 25 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1672353

>  <PubChem CID>
25026446

>  <Formula>
C20H26N4O

>  <Molecular Weight>
338.455000

>  <IUPAC Name>
1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)(C)CC1=CN=C(N1)CC(C)(C2=CC=C(C=C2)N3C=CC=N3)O

>  <Isomeric SMILES>
CC(C)(C)CC1=CN=C(N1)CC(C)(C2=CC=C(C=C2)N3C=CC=N3)O

>  <InChI Std. ID>
InChI=1S/C20H26N4O/c1-19(2,3)12-16-14-21-18(23-16)13-20(4,25)15-6-8-17(9-7-15)24-11-5-10-22-24/h5-11,14,25H,12-13H2,1-4H3,(H,21,23)

>  <InChI Key>
DLQVEFMBHFLTJU-UHFFFAOYSA-N

