
 CHEMBL1089721

 56 58  0  0  0  0  0  0  0  0999 V2000
    3.1996   -0.1196    4.2757 C   0  0  0  0  0
    2.9794    1.1813    3.5112 C   0  0  0  0  0
    4.0901    1.5880    2.4946 C   0  0  0  0  0
    5.4386    1.7489    3.2242 C   0  0  0  0  0
    4.2343    0.5029    1.4093 C   0  0  0  0  0
    3.6404    2.9417    1.8593 C   0  0  0  0  0
    4.5718    3.5052    0.8404 C   0  0  0  0  0
    4.6219    3.3894   -0.5316 C   0  0  0  0  0
    5.7007    4.0621   -1.0417 N   0  0  0  0  0
    6.3043    4.6047   -0.0063 C   0  0  0  0  0
    5.6210    4.3327    1.1523 N   0  0  0  0  0
    7.5641    5.3989   -0.0225 C   0  0  0  0  0
    8.7858    4.4967    0.1813 C   0  0  0  0  0
   10.0668    5.2936    0.2231 C   0  0  0  0  0
   10.3745    6.0774    1.3384 C   0  0  0  0  0
   11.5242    6.8719    1.3498 C   0  0  0  0  0
   12.4153    6.8936    0.2614 C   0  0  0  0  0
   12.1172    6.0649   -0.8324 C   0  0  0  0  0
   10.9508    5.2891   -0.8602 C   0  0  0  0  0
   13.6232    7.7527    0.2988 C   0  0  0  0  0
   14.4412    7.7141    1.4513 C   0  0  0  0  0
   15.5957    8.4942    1.5697 C   0  0  0  0  0
   15.9810    9.3265    0.5276 C   0  0  0  0  0
   15.2085    9.3802   -0.6294 C   0  0  0  0  0
   14.0313    8.6154   -0.7447 C   0  0  0  0  0
   13.2945    8.7941   -2.0169 C   0  0  0  0  0
   13.7998    8.8634   -3.1227 O   0  0  0  0  0
   11.9806    8.9910   -1.8246 O   0  0  0  0  0
    2.3523   -0.3007    4.9457 H   0  0  0  0  0
    4.0994   -0.0798    4.8954 H   0  0  0  0  0
    3.2725   -0.9795    3.6047 H   0  0  0  0  0
    2.8549    1.9856    4.2483 H   0  0  0  0  0
    2.0206    1.1009    2.9820 H   0  0  0  0  0
    5.3766    2.5188    4.0011 H   0  0  0  0  0
    6.2430    2.0275    2.5357 H   0  0  0  0  0
    5.7563    0.8156    3.6998 H   0  0  0  0  0
    3.2897    0.3520    0.8753 H   0  0  0  0  0
    4.5374   -0.4587    1.8356 H   0  0  0  0  0
    4.9996    0.7657    0.6717 H   0  0  0  0  0
    3.4959    3.6876    2.6531 H   0  0  0  0  0
    2.6563    2.8114    1.3883 H   0  0  0  0  0
    3.9503    2.8376   -1.1769 H   0  0  0  0  0
    5.8811    4.6451    2.0775 H   0  0  0  0  0
    7.5178    6.1709    0.7558 H   0  0  0  0  0
    7.6448    5.9281   -0.9800 H   0  0  0  0  0
    8.8358    3.7457   -0.6180 H   0  0  0  0  0
    8.6947    3.9281    1.1166 H   0  0  0  0  0
    9.7152    6.0917    2.2029 H   0  0  0  0  0
   11.7126    7.4930    2.2233 H   0  0  0  0  0
   12.7853    6.0220   -1.6903 H   0  0  0  0  0
   10.7384    4.6863   -1.7409 H   0  0  0  0  0
   14.1844    7.0538    2.2790 H   0  0  0  0  0
   16.1939    8.4422    2.4762 H   0  0  0  0  0
   16.8797    9.9320    0.6130 H   0  0  0  0  0
   15.5155   10.0316   -1.4456 H   0  0  0  0  0
   11.6164    9.1059   -2.7259 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  6  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 42  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 13 47  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 48  1  0  0  0
 16 17  2  0  0  0
 16 49  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 50  1  0  0  0
 19 51  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 52  1  0  0  0
 22 23  2  0  0  0
 22 53  1  0  0  0
 23 24  1  0  0  0
 23 54  1  0  0  0
 24 25  2  0  0  0
 24 55  1  0  0  0
 25 26  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1089721

>  <PubChem CID>
46845425

>  <Formula>
C24H28N2O2

>  <Molecular Weight>
376.500000

>  <IUPAC Name>
2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(C)(C)CC1=CN=C(N1)CCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

>  <Isomeric SMILES>
CCC(C)(C)CC1=CN=C(N1)CCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

>  <InChI Std. ID>
InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)

>  <InChI Key>
AXHVEQQLKVIZLO-UHFFFAOYSA-N

