860784-67-4
5-(5,6-DIMETHYL-1H-1,3-BENZIMIDAZOL-2-YL)-2(1H)-PYRIDINONE
Name5-(5,6-DIMETHYL-1H-1,3-BENZIMIDAZOL-2-YL)-2(1H)-PYRIDINONE
1Identification
【Name】
5-(5,6-DIMETHYL-1H-1,3-BENZIMIDAZOL-2-YL)-2(1H)-PYRIDINONE
【CAS】
【MDL】
MFCD04124475
【English Synonyms】
【Formula】
C14 H13 N3 O
【MolWeight】
239.277
【Inchi】
InChI=1S/C14H13N3O/c1-8-5-11-12(6-9(8)2)17-14(16-11)10-3-4-13(18)15-7-10/h3-7H,1-2H3,(H,15,18)(H,16,17)
【InChIKey】
InChIKey=BOTHPZAQTGVOQK-UHFFFAOYSA-N
【SMILES】
Cc1cc2c(cc1C)nc([nH]2)c3ccc(=O)[nH]c3
【MOL File】
5-(5,6-DIMETHYL-1H-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(5,6-DIMETHYL-1H-1,3-BENZIMIDAZOL-2-YL)-2(1H)-PYRIDINONE.cml