[3] The British entomologist George Newport first proposed this genus in 1843 to contain a group of centipedes marked by an unusual elongation of the head.

[3] A pair of sclerotized teeth (spicula) project from the pleurites on the sides of the head.

The forcipular tergum is slightly wider than long and divided down the middle by a longitudinal furrow.

[10][2] A phylogenetic analysis of the family Mecistocephalidae using morphological features places the genus Mecistocephalus in the subfamily Mecistocephalinae along with the genera Tygarrup, Krateraspis, and Takashimaia.

The genera in this subfamily share a set of distinctive traits, including setae on the clypeus that are limited to a short transverse band.

[2] Maximum diversity in terms of species occurs in the region of Japan and southeast Asia.