5959-80-8
2-[2-(1H-IMIDAZOL-4-YL)ETHYL]ISOINDOLE-1,3-DIONE
Name2-[2-(1H-IMIDAZOL-4-YL)ETHYL]ISOINDOLE-1,3-DIONE
1Identification
【Name】
2-[2-(1H-IMIDAZOL-4-YL)ETHYL]ISOINDOLE-1,3-DIONE
【CAS】
【MDL】
MFCD20484151
【English Synonyms】
【Formula】
C13 H11 N3 O2
【MolWeight】
241.249
【Inchi】
InChI=1S/C13H11N3O2/c17-12-10-3-1-2-4-11(10)13(18)16(12)6-5-9-7-14-8-15-9/h1-4,7-8H,5-6H2,(H,14,15)
【InChIKey】
InChIKey=JBFMIBDZOYESNV-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)C(=O)N(C2=O)CCc3c[nH]cn3
【MOL File】
2-[2-(1H-IMIDAZOL-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[2-(1H-IMIDAZOL-4-YL)ETHYL]ISOINDOLE-1,3-DIONE.cml