HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57816632Generated: October 29, 2026
(1R,3S,5R)-tert-butyl 3-(5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
https://huagongshe.com/en/chemical/57816632
Identifiers & Physical Properties
| Molecular formula | C25H34BN3O4 |
|---|
| Average molar mass | 451.4 g/mol |
|---|
| Monoisotopic mass | 451.2642367 g/mol |
|---|
| SMILES | CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH]1 |
|---|
| InChIKey | HXGQUKXMAXAPJC-AHRSYUTCSA-N |
|---|
| PubChem CID | 57816632 |
|---|
Chemical & Physical Properties
| Topological polar surface area | 76.7 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 5 |
|---|
| Heavy atoms | 33 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 745 |
|---|
![(1R,3S,5R)-tert-butyl 3-(5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate molecular structure](/img/chemical/57816632.png)