
 CHEMBL120117

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.5036    1.0757    1.1130 C   0  0  0  0  0
   -1.3840    0.6171    0.1433 C   0  0  0  0  0
   -0.8899   -0.0462   -0.9780 C   0  0  0  0  0
    0.4951   -0.2620   -1.1518 C   0  0  0  0  0
    1.3917    0.1938   -0.1587 C   0  0  0  0  0
    0.8679    0.8669    0.9619 C   0  0  0  0  0
    2.8472    0.0260   -0.2293 C   0  0  0  0  0
    3.8844    0.8566    0.1520 C   0  0  0  0  0
    5.1050    0.2809   -0.0851 N   0  0  0  0  0
    4.8583   -0.9039   -0.6117 C   0  0  0  0  0
    3.4992   -1.1075   -0.6604 N   0  0  0  0  0
    5.8578   -1.8662   -1.0751 C   0  0  0  0  0
    7.2144   -1.6037   -0.8925 C   0  0  0  0  0
    8.2213   -2.4234   -1.2918 N   0  0  0  0  0
    7.8612   -3.5644   -1.9123 C   0  0  0  0  0
    6.5456   -3.9240   -2.1494 C   0  0  0  0  0
    5.5331   -3.0626   -1.7247 C   0  0  0  0  0
    0.9545   -0.9592   -2.4087 C   0  0  0  0  0
    1.8272   -0.2241   -3.1483 F   0  0  0  0  0
    1.5936   -2.1392   -2.1426 F   0  0  0  0  0
   -0.0593   -1.2894   -3.2585 F   0  0  0  0  0
   -0.8805    1.5979    1.9887 H   0  0  0  0  0
   -2.4541    0.7776    0.2561 H   0  0  0  0  0
   -1.5983   -0.3903   -1.7318 H   0  0  0  0  0
    1.5308    1.2308    1.7450 H   0  0  0  0  0
    3.8157    1.8499    0.5778 H   0  0  0  0  0
    3.0508   -1.9505   -0.9917 H   0  0  0  0  0
    7.5434   -0.6894   -0.4026 H   0  0  0  0  0
    8.6832   -4.2012   -2.2264 H   0  0  0  0  0
    6.3122   -4.8528   -2.6580 H   0  0  0  0  0
    4.5038   -3.3437   -1.9234 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 27  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 16 17  2  0  0  0
 16 30  1  0  0  0
 17 31  1  0  0  0
 18 21  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL120117

>  <PubChem CID>
44345971

>  <Formula>
C15H10F3N3

>  <Molecular Weight>
289.261000

>  <IUPAC Name>
3-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C(=C1)C2=CN=C(N2)C3=CN=CC=C3)C(F)(F)F

>  <Isomeric SMILES>
C1=CC=C(C(=C1)C2=CN=C(N2)C3=CN=CC=C3)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C15H10F3N3/c16-15(17,18)12-6-2-1-5-11(12)13-9-20-14(21-13)10-4-3-7-19-8-10/h1-9H,(H,20,21)

>  <InChI Key>
AQNIAXWUGXAORM-UHFFFAOYSA-N

