Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCc1nc2cc(Br)ccc2n1CCOS(C)(=O)=O- InChIKey
ZCMJMHJISWPOKA-UHFFFAOYSA-N- Molecular formula
- C16H22BrN3O5S
- Average molar mass
- 448.3 g/mol
Names & identifiers
- Preferred name
- 2-(5-Bromo-2-((tert-butoxycarbonylamino)methyl)-1H-benzo[d]imidazol-1-yl)ethyl methanesulfonate
- IUPAC
- 2-[5-bromo-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzimidazol-1-yl]ethyl methanesulfonate
Names & synonyms
SCHEMBL9931288ZCMJMHJISWPOKA-UHFFFAOYSA-N2-(5-Bromo-2-((tert-butoxycarbonylamino)methyl)-1H-benzo[d]imidazol-1-yl)ethyl methanesulfonate
Database identifiers
- PubChem CID
- 57514769
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 590
Related reactions
2 records
Compound notes
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