The mechanical performance of rock masses is significantly impacted by the existence of cracks. Distribution of the cracks may result in different mechanical or fracture behaviors of rock. To gain a preliminary understanding of such problems, a series of numerical tests of three-point bending (TPB) are designed and carried out with the consideration of single pre-notch and double pre-notches. The numerical method of grain-based model (GBM) approach is employed in this paper, with a validation implemented by comparing the results with previous experiments to demonstrate the reliability of this model. Afterward, a comprehensive investigation, including the mechanical behavior, strength characteristics, crack evolution and progressive failure mechanism of the above mentioned TPB tests are conducted. The conclusions are as follows: (1) During TPB tests, as the offset distance increases, the fracture mode of the single pre-notched specimens gradually transitions from Mode I to Mode II, with the peak fracture toughness occurring at a mixed Mode I-II fracture condition (2p/s = 0.4). Moreover, the failure angle, notch open degree and expansion area all tend to rise regardless of specimens of single or double pre-notches. (2) A thorough exploration of crack evolution shows that the specimens primarily fracture during the crack propagation and failure stages. Shear failure predominates among these stages, with microcracks mostly occurring inside the rock mineral grains. (3) When offset distance increases to a certain degree (2p/s = 0.8), the fracture of specimen ceases to be governed by the pre-notch; instead, it occurs directly from the middle of the beam specimen. This phenomenon can be attributed to the reduction of stress concentration at the notch tip, as inferred from analysis of the contact force chain. (4) In double pre-notched specimen, microcracks initiate at both pre-notches, but the final failure results from crack propagation at one notch tip. Compared to single pre-notched specimen, the presence of double pre-notches exhibits superior fracture resistance performance.