Bms-212122
Basic information
- CAS
194213-64-4- Standard SMILES
Cc1ccc2c(nc(C)n2CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)c1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1- InChIKey
PCOWNQCLFYEXLR-UHFFFAOYSA-N- Molecular formula
- C43H36F6N4O2
- Average molar mass
- 754.8 g/mol
- Monoisotopic mass
- 754.27424538
Names & identifiers
- Preferred name
- Bms-212122
- IUPAC
- 9-[4-[2,5-dimethyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
- English name
- BMS 212122
- Molecular formula
- C43H36F6N4O2
- Molecular weight
- 754.76
Names & synonyms
BMS-212122194213-64-40Z473OO6GB9H-Fluorene-9-carboxamide, 9-(4-(2,5-dimethyl-4-(((4'-(trifluoromethyl)(1,1'-biphenyl)-2-yl)carbonyl)amino)-1H-benzimidazol-1-yl)butyl)-N-(2,2,2-trifluoroethyl)-RefChem:917415BMS212122BMS 212122UNII-0Z473OO6GBCHEMBL3550079-[4-[2,5-dimethyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamidePCOWNQCLFYEXLR-UHFFFAOYSA-Norb1698104
Show more names
9H-Fluorene-9-carboxamide, 9-[4-[2,5-dimethyl-4-[[[4'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]carbonyl]amino]-1H-benzimidazol-1-yl]butyl]-N-(2,2,2-trifluoroethyl)-
SCHEMBL6521203BDBM50098321AKOS0407508449-(4-(2,5-dimethyl-4-(4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxamido)-1H-benzo[d]imidazol-1-yl)butyl)-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamideTS-08682HY-116579CS-0065953T30506
Database identifiers
- CAS
194213-64-4- PubChem CID
- 9853566
- ChEMBL
CHEMBL355007- UNII
- 0Z473OO6GB
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,300
Physicochemical properties
- Boiling point
- 805 · 805.0±65.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 12.65 · 12.65±0.20(Predicted)
- FDA UNII
- 0 Z473OO6GB · 0Z473OO6GB
Chemistry & industry
Applications
UsesBMS-212122 is a kind of biological materials or organic compounds that are widely used in life science research[1].
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