
 dimethylhistaprodifen

 52 54  0  0  0  0  0  0  0  0999 V2000
    6.4222   13.6996   -0.9805 C   0  0  0  0  0
    7.2088   12.8494   -0.0815 N   0  0  0  0  0
    7.1511   13.3913    1.2790 C   0  0  0  0  0
    6.7049   11.4617   -0.1431 C   0  0  0  0  0
    7.5877   10.4638    0.6199 C   0  0  0  0  0
    7.0810    9.0688    0.5128 C   0  0  0  0  0
    6.1641    8.3635    1.2590 C   0  0  0  0  0
    6.1297    7.0502    0.8765 N   0  0  0  0  0
    7.0192    6.9406   -0.0873 C   0  0  0  0  0
    7.5395    8.1692   -0.4140 N   0  0  0  0  0
    7.5211    5.6782   -0.6951 C   0  0  0  0  0
    8.6100    5.0261    0.1760 C   0  0  0  0  0
    9.8853    5.8949    0.3756 C   0  0  0  0  0
   10.8434    5.3419    1.4284 C   0  0  0  0  0
   11.1028    3.9711    1.5723 C   0  0  0  0  0
   11.9581    3.5127    2.5781 C   0  0  0  0  0
   12.5796    4.4130    3.4402 C   0  0  0  0  0
   12.3522    5.7781    3.2970 C   0  0  0  0  0
   11.4913    6.2373    2.2996 C   0  0  0  0  0
   10.6028    6.2642   -0.9215 C   0  0  0  0  0
   11.1462    7.5537   -1.0663 C   0  0  0  0  0
   11.7819    7.9372   -2.2489 C   0  0  0  0  0
   11.8866    7.0377   -3.3059 C   0  0  0  0  0
   11.3731    5.7503   -3.1730 C   0  0  0  0  0
   10.7471    5.3611   -1.9856 C   0  0  0  0  0
    6.5063   13.3478   -2.0147 H   0  0  0  0  0
    6.8011   14.7272   -0.9692 H   0  0  0  0  0
    5.3608   13.7192   -0.7057 H   0  0  0  0  0
    7.4544   14.4445    1.2894 H   0  0  0  0  0
    7.8530   12.8745    1.9406 H   0  0  0  0  0
    6.1460   13.3201    1.7103 H   0  0  0  0  0
    6.6795   11.1436   -1.1939 H   0  0  0  0  0
    5.6710   11.4083    0.2242 H   0  0  0  0  0
    7.6310   10.7188    1.6848 H   0  0  0  0  0
    8.6176   10.5130    0.2431 H   0  0  0  0  0
    5.5610    8.7208    2.0869 H   0  0  0  0  0
    8.2487    8.3360   -1.1160 H   0  0  0  0  0
    7.8839    5.8590   -1.7116 H   0  0  0  0  0
    6.6817    4.9778   -0.7873 H   0  0  0  0  0
    8.8611    4.0556   -0.2677 H   0  0  0  0  0
    8.1809    4.8021    1.1630 H   0  0  0  0  0
    9.5190    6.8361    0.8075 H   0  0  0  0  0
   10.6386    3.2434    0.9147 H   0  0  0  0  0
   12.1366    2.4455    2.6909 H   0  0  0  0  0
   13.2409    4.0516    4.2235 H   0  0  0  0  0
   12.8378    6.4854    3.9632 H   0  0  0  0  0
   11.3202    7.3081    2.2133 H   0  0  0  0  0
   11.0845    8.2710   -0.2504 H   0  0  0  0  0
   12.2018    8.9357   -2.3417 H   0  0  0  0  0
   12.3803    7.3349   -4.2274 H   0  0  0  0  0
   11.4649    5.0432   -3.9940 H   0  0  0  0  0
   10.3724    4.3441   -1.9102 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  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  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 13 20  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
 22 49  1  0  0  0
 23 24  1  0  0  0
 23 50  1  0  0  0
 24 25  2  0  0  0
 24 51  1  0  0  0
 25 52  1  0  0  0
M  END

>  <Chemical Name>
dimethylhistaprodifen

>  <PubChem CID>
10042467

>  <Formula>
C22H27N3

>  <Molecular Weight>
333.479000

>  <IUPAC Name>
2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]-N,N-dimethylethanamine

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CCC1=CN=C(N1)CCC(C2=CC=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
CN(C)CCC1=CN=C(N1)CCC(C2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)

>  <InChI Key>
GNBOIGBQIBQOIA-UHFFFAOYSA-N

