551921-64-3
5-AMINO-1-(2-PHENOXYPHENYL)-1H-IMIDAZOLE-4-CARBONITRILE
Name5-AMINO-1-(2-PHENOXYPHENYL)-1H-IMIDAZOLE-4-CARBONITRILE
1Identification
【Name】
5-AMINO-1-(2-PHENOXYPHENYL)-1H-IMIDAZOLE-4-CARBONITRILE
【CAS】
【MDL】
MFCD02082531
【English Synonyms】
【Formula】
C16 H12 N4 O
【MolWeight】
276.298
【Inchi】
InChI=1S/C16H12N4O/c17-10-13-16(18)20(11-19-13)14-8-4-5-9-15(14)21-12-6-2-1-3-7-12/h1-9,11H,18H2
【InChIKey】
InChIKey=LCILXKXYCLBWMS-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Oc2ccccc2n3cnc(c3N)C#N
【MOL File】
5-AMINO-1-(2-PHENOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-AMINO-1-(2-PHENOXYPHENYL)-1H-IMIDAZOLE-4-CARBONITRILE.cml