Single crystal of linear optical imidazole has been grown in the laboratory by using low temperature solution growth technique. The cell parameters were determined by powder X-ray diffraction analysis. FT-Raman and FT-IR analysis were used to confirm the presence of various functional groups in the grown crystal. ab initio Hartee-Fock calculations and DFT levels invoking 6- 31G(d,p) and 6-311G(2df,2p) basis sets were also carried out and the results are compared with the experimental values. Thermal analysis was performed to study the thermal stability of the grown crystals. The crystals posses lower UV-cut off wavelength at 50 nm, as confirmed by the transmittance study. Kurtz powder SHG measurement confirms the non-existence of non-linear property of the grown crystal. It is suggested that the design and the synthesis of two conjugated donor-acceptor imidazole derivatives1,2 can be carried out for second-order nonlinear optics along with Z-scan technique.