| CAS Number | 1951440-97-3 |
| Catalog Number | AG00I387(AGN-PC-0WQXL4) |
| Chemical Name | Tert-Butyl 4-(6-Bromo-1,2-Dihydro-2-Oxobenzo[D]Imidazol-3-Yl)Piperidine-1-Carboxylate |
| IUPAC Name | tert-butyl 4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate |
| InChI | InChI=1S/C17H22BrN3O3/c1-17(2,3)24-16(23)20-8-6-12(7-9-20)21-14-5-4-11(18)10-13(14)19-15(21)22/h4-5,10,12H,6-9H2,1-3H3,(H,19,22) |
| InChI Key | UQSBDLJHHQFQDY-UHFFFAOYSA-N |
| MDL Number | MFCD16620831 |
| Molecular Formula | C17H22BrN3O3 |
| Molecular Weight | 396.2789 |
| SMILES | O=C1NC2=CC(Br)=CC=C2N1C3CCN(C(OC(C)(C)C)=O)CC3 |
| Synonyms | 1951440-97-3,
tert-Butyl 4-(5-bromo-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidine-1-carboxylate,
MFCD16620831,
ZINC261508561,
t-Butyl 4-(6-bromo-1,2-dihydro-2-oxobenzo[d]imidazol-3-yl)piperidine-1-carboxylate,
tert-Butyl 4-(6-bromo-1,2-dihydro-2-oxobenzo[d]imidazol-3-yl)piperidine-1-carboxylate,
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| Complexity | 500 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 395.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 396.285g/mol |
| Monoisotopic Mass | 395.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number