75380-54-0
1-(2,4-DIMETHYL-4H-PYRAZOLO[1,5-A]BENZIMIDAZOL-3-YL)ETHANONE
Name1-(2,4-DIMETHYL-4H-PYRAZOLO[1,5-A]BENZIMIDAZOL-3-YL)ETHANONE
1Identification
【Name】
1-(2,4-DIMETHYL-4H-PYRAZOLO[1,5-A]BENZIMIDAZOL-3-YL)ETHANONE
【CAS】
【MDL】
MFCD01305815
【English Synonyms】
【Formula】
C13 H13 N3 O
【MolWeight】
227.266
【Inchi】
InChI=1S/C13H13N3O/c1-8-12(9(2)17)13-15(3)10-6-4-5-7-11(10)16(13)14-8/h4-7H,1-3H3
【InChIKey】
InChIKey=HXUOBVIVDMTQLB-UHFFFAOYSA-N
【SMILES】
Cc1c(c2n(c3ccccc3n2n1)C)C(=O)C
【MOL File】
1-(2,4-DIMETHYL-4H-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2,4-DIMETHYL-4H-PYRAZOLO[1,5-A]BENZIMIDAZOL-3-YL)ETHANONE.cml