
 CTEP

 40 42  0  0  0  0  0  0  0  0999 V2000
    1.1766    0.2931    0.4612 C   0  0  0  0  0
    2.6325    0.1916    0.1809 C   0  0  0  0  0
    3.5554    1.2037    0.0513 C   0  0  0  0  0
    4.8190    0.7278   -0.0824 N   0  0  0  0  0
    4.7058   -0.5867   -0.0774 C   0  0  0  0  0
    3.3730   -0.9869    0.0709 N   0  0  0  0  0
    2.8683   -2.3235    0.0496 C   0  0  0  0  0
    3.5850   -3.3773    0.6319 C   0  0  0  0  0
    3.1162   -4.6971    0.5411 C   0  0  0  0  0
    1.9331   -4.9751   -0.1410 C   0  0  0  0  0
    1.1895   -3.9199   -0.6695 C   0  0  0  0  0
    1.6550   -2.6049   -0.5876 C   0  0  0  0  0
    1.3945   -6.2099   -0.3514 O   0  0  0  0  0
    2.2837   -7.3154   -0.3451 C   0  0  0  0  0
    2.5256   -7.7166    0.9204 F   0  0  0  0  0
    1.7029   -8.3377   -1.0118 F   0  0  0  0  0
    3.4540   -7.0326   -0.9573 F   0  0  0  0  0
    5.8585   -1.4887   -0.3476 C   0  0  0  0  0
    3.3195    2.6054    0.0480 C   0  0  0  0  0
    3.1123    3.7883    0.0201 C   0  0  0  0  0
    2.8618    5.1953   -0.0317 C   0  0  0  0  0
    1.7287    5.6789   -0.6768 C   0  0  0  0  0
    1.5429    7.0481   -0.6956 C   0  0  0  0  0
    2.3807    7.9433   -0.1335 N   0  0  0  0  0
    3.4710    7.4402    0.4816 C   0  0  0  0  0
    3.7537    6.0866    0.5594 C   0  0  0  0  0
    0.1743    7.7377   -1.4668 Cl  0  0  0  0  0
    0.8281   -0.5142    1.1120 H   0  0  0  0  0
    0.6020    0.2832   -0.4700 H   0  0  0  0  0
    0.9448    1.2319    0.9760 H   0  0  0  0  0
    4.4975   -3.2014    1.1952 H   0  0  0  0  0
    3.6999   -5.4825    1.0151 H   0  0  0  0  0
    0.2536   -4.1232   -1.1863 H   0  0  0  0  0
    1.0770   -1.8345   -1.0883 H   0  0  0  0  0
    5.5958   -2.2934   -1.0398 H   0  0  0  0  0
    6.2462   -1.9121    0.5829 H   0  0  0  0  0
    6.6737   -0.9214   -0.8105 H   0  0  0  0  0
    1.0170    5.0135   -1.1502 H   0  0  0  0  0
    4.1348    8.1776    0.9250 H   0  0  0  0  0
    4.6489    5.7408    1.0665 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 14 17  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 20  3  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 38  1  0  0  0
 23 24  2  0  0  0
 23 27  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 39  1  0  0  0
 26 40  1  0  0  0
M  END

>  <Chemical Name>
CTEP

>  <PubChem CID>
11646823

>  <Formula>
C19H13ClF3N3O

>  <Molecular Weight>
391.778000

>  <IUPAC Name>
2-chloro-4-[2-[2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]ethynyl]pyridine

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(N=C(N1C2=CC=C(C=C2)OC(F)(F)F)C)C#CC3=CC(=NC=C3)Cl

>  <Isomeric SMILES>
CC1=C(N=C(N1C2=CC=C(C=C2)OC(F)(F)F)C)C#CC3=CC(=NC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3

>  <InChI Key>
GOHCTCOGYKAJLZ-UHFFFAOYSA-N

