
 SCHEMBL15987924

 71 74  0  0  0  0  0  0  0  0999 V2000
    1.3017    0.1460   -0.4981 C   0  0  0  0  0
    2.7812    0.1597   -0.3509 C   0  0  0  0  0
    3.6997    1.1921   -0.3932 C   0  0  0  0  0
    4.9739    0.6961   -0.3344 N   0  0  0  0  0
    4.8825   -0.6177   -0.2562 C   0  0  0  0  0
    3.5505   -0.9747   -0.1299 N   0  0  0  0  0
    3.0272   -2.2823    0.2417 C   0  0  0  0  0
    3.5690   -2.8735    1.5313 C   0  0  0  0  0
    3.5632   -4.0952    1.6992 O   0  0  0  0  0
    3.9418   -1.9929    2.5248 N   0  0  0  0  0
    4.5139   -2.4551    3.7835 C   0  0  0  0  0
    6.0291   -2.6030    3.6694 C   0  0  0  0  0
    4.1467   -1.4869    4.9033 C   0  0  0  0  0
    6.0619   -1.4899   -0.2021 C   0  0  0  0  0
    7.2089   -1.0084    0.4563 C   0  0  0  0  0
    8.3786   -1.7656    0.5165 C   0  0  0  0  0
    8.4124   -3.0119   -0.1077 C   0  0  0  0  0
    7.2901   -3.4992   -0.7772 C   0  0  0  0  0
    6.1208   -2.7376   -0.8310 C   0  0  0  0  0
    9.5426   -1.3931    1.1306 O   0  0  0  0  0
    9.4794   -0.2451    1.9692 C   0  0  0  0  0
    3.4466    2.6173   -0.5160 C   0  0  0  0  0
    4.3561    3.4154   -1.2204 C   0  0  0  0  0
    4.1552    4.7942   -1.3434 C   0  0  0  0  0
    3.0370    5.4087   -0.7639 C   0  0  0  0  0
    2.1553    4.6145   -0.0185 C   0  0  0  0  0
    2.3554    3.2347    0.1004 C   0  0  0  0  0
    2.8507    6.9071   -0.9071 C   0  0  0  0  0
    1.3875    7.3365   -1.1370 C   0  0  0  0  0
    1.1879    8.7901   -1.2962 N   0  0  0  0  0
    1.7927    9.3440   -2.5282 C   0  0  0  0  0
    1.0698    8.9288   -3.8206 C   0  0  0  0  0
   -0.3166    9.2896   -3.7800 O   0  0  0  0  0
   -0.9625    8.7124   -2.6387 C   0  0  0  0  0
   -0.2604    9.1157   -1.3287 C   0  0  0  0  0
    0.9619   -0.7432   -1.0391 H   0  0  0  0  0
    0.9519    1.0091   -1.0737 H   0  0  0  0  0
    0.8181    0.1660    0.4836 H   0  0  0  0  0
    3.2245   -2.9587   -0.5938 H   0  0  0  0  0
    1.9428   -2.2094    0.3657 H   0  0  0  0  0
    4.0850   -1.0163    2.2884 H   0  0  0  0  0
    4.0877   -3.4369    4.0195 H   0  0  0  0  0
    6.5037   -1.6425    3.4425 H   0  0  0  0  0
    6.2979   -3.3034    2.8724 H   0  0  0  0  0
    6.4557   -2.9779    4.6061 H   0  0  0  0  0
    4.5443   -0.4843    4.7101 H   0  0  0  0  0
    4.5399   -1.8324    5.8649 H   0  0  0  0  0
    3.0587   -1.3985    4.9935 H   0  0  0  0  0
    7.1615   -0.0186    0.9022 H   0  0  0  0  0
    9.3242   -3.6042   -0.0783 H   0  0  0  0  0
    7.3335   -4.4674   -1.2695 H   0  0  0  0  0
    5.2817   -3.1246   -1.4008 H   0  0  0  0  0
   10.4576   -0.1240    2.4437 H   0  0  0  0  0
    8.7378   -0.3792    2.7646 H   0  0  0  0  0
    9.2779    0.6611    1.3897 H   0  0  0  0  0
    5.2362    2.9617   -1.6750 H   0  0  0  0  0
    4.8873    5.3809   -1.8944 H   0  0  0  0  0
    1.3036    5.0523    0.4951 H   0  0  0  0  0
    1.6587    2.6593    0.7027 H   0  0  0  0  0
    3.4604    7.2410   -1.7549 H   0  0  0  0  0
    3.2524    7.3946   -0.0098 H   0  0  0  0  0
    0.8113    7.0333   -0.2541 H   0  0  0  0  0
    0.9758    6.7740   -1.9826 H   0  0  0  0  0
    2.8581    9.1055   -2.5952 H   0  0  0  0  0
    1.7438   10.4380   -2.4464 H   0  0  0  0  0
    1.5176    9.4487   -4.6737 H   0  0  0  0  0
    1.1593    7.8530   -4.0099 H   0  0  0  0  0
   -1.9950    9.0752   -2.6280 H   0  0  0  0  0
   -1.0024    7.6243   -2.7609 H   0  0  0  0  0
   -0.3552   10.2024   -1.2038 H   0  0  0  0  0
   -0.7761    8.6667   -0.4711 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 12 43  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 46  1  0  0  0
 13 47  1  0  0  0
 13 48  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 49  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 50  1  0  0  0
 18 19  2  0  0  0
 18 51  1  0  0  0
 19 52  1  0  0  0
 20 21  1  0  0  0
 21 53  1  0  0  0
 21 54  1  0  0  0
 21 55  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 56  1  0  0  0
 24 25  2  0  0  0
 24 57  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 58  1  0  0  0
 27 59  1  0  0  0
 28 29  1  0  0  0
 28 60  1  0  0  0
 28 61  1  0  0  0
 29 30  1  0  0  0
 29 62  1  0  0  0
 29 63  1  0  0  0
 30 35  1  0  0  0
 30 31  1  0  0  0
 31 32  1  0  0  0
 31 64  1  0  0  0
 31 65  1  0  0  0
 32 33  1  0  0  0
 32 66  1  0  0  0
 32 67  1  0  0  0
 33 34  1  0  0  0
 34 35  1  0  0  0
 34 68  1  0  0  0
 34 69  1  0  0  0
 35 70  1  0  0  0
 35 71  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL15987924

>  <PubChem CID>
86580869

>  <Formula>
C28H36N4O3

>  <Molecular Weight>
476.621000

>  <IUPAC Name>
2-[2-(3-methoxyphenyl)-5-methyl-4-[4-(2-morpholin-4-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N=C(N1CC(=O)NC(C)C)C2=CC(=CC=C2)OC)C3=CC=C(C=C3)CCN4CCOCC4

>  <Isomeric SMILES>
CC1=C(N=C(N1CC(=O)NC(C)C)C2=CC(=CC=C2)OC)C3=CC=C(C=C3)CCN4CCOCC4

>  <InChI Std. ID>
InChI=1S/C28H36N4O3/c1-20(2)29-26(33)19-32-21(3)27(30-28(32)24-6-5-7-25(18-24)34-4)23-10-8-22(9-11-23)12-13-31-14-16-35-17-15-31/h5-11,18,20H,12-17,19H2,1-4H3,(H,29,33)

>  <InChI Key>
AUUCAFKFGVUFQA-UHFFFAOYSA-N

