509093-95-2
N-[1-(3-FLUOROPHENYL)-5-(1-PIPERIDINYLMETHYL)-1H-BENZIMIDAZOL-2-YL]-3-(TRIFLUOROMETHYL)BENZAMIDE
NameN-[1-(3-FLUOROPHENYL)-5-(1-PIPERIDINYLMETHYL)-1H-BENZIMIDAZOL-2-YL]-3-(TRIFLUOROMETHYL)BENZAMIDE
1Identification
【Name】
N-[1-(3-FLUOROPHENYL)-5-(1-PIPERIDINYLMETHYL)-1H-BENZIMIDAZOL-2-YL]-3-(TRIFLUOROMETHYL)BENZAMIDE
【CAS】
【MDL】
MFCD22571639
【English Synonyms】
【Formula】
C27 H24 F4 N4 O
【MolWeight】
496.506
【Inchi】
InChI=1S/C27H24F4N4O/c28-21-8-5-9-22(16-21)35-24-11-10-18(17-34-12-2-1-3-13-34)14-23(24)32-26(35)33-25(36)19-6-4-7-20(15-19)27(29,30)31/h4-11,14-16H,1-3,12-13,17H2,(H,32,33,36)
【InChIKey】
InChIKey=XMKADXDNTBRSIZ-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(F)(F)F)C(=O)Nc2nc3cc(ccc3n2c4cccc(c4)F)CN5CCCCC5
【MOL File】
N-[1-(3-FLUOROPHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[1-(3-FLUOROPHENYL)-5-(1-PIPERIDINYLMETHYL)-1H-BENZIMIDAZOL-2-YL]-3-(TRIFLUOROMETHYL)BENZAMIDE.cml