1-(2′, 4′, 6′-Trinitrophenyl)-4, 5-dinitroimidazole was prepared, and its thermal behavior was studied by DSC and TG. Results show that it is melting and decomposition temperatures are 228.98 ℃ and 339.73 ℃, respectively. And the mass loss due to overall reaction (200-440 ℃) is 98%. The structure of the compound belongs to the orthorhombic system, space group P2₁2₁2₁, a=8.2370 (16)Å, b=12.791(3)Å and c=12.916(3)Å. The calculated crystal density is 1.802 g·cm^-3, and the corresponding detonation velocity and pressure are 8296.48 m·s^-1 and 31.00 GPa.