Basic information
- Standard SMILES
COC(=O)N1CCC(N2CCC(n3c(=O)n(S(C)(=O)=O)c4cc(Br)ccc43)CC2)CC1- InChIKey
GUOBXCVQDSPHBB-UHFFFAOYSA-N- Molecular formula
- C20H27BrN4O5S
- Average molar mass
- 515.4 g/mol
Names & identifiers
- Preferred name
- 1-[1-(1-methoxycarbonylpiperidin-4-yl)-piperidin-4-yl]-3-(methylsulfonyl)-5-bromo-1,3-dihydro-2H-benzimidazol-2-one
- IUPAC
- methyl 4-[4-(5-bromo-3-methylsulfonyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL6580102GUOBXCVQDSPHBB-UHFFFAOYSA-N1-[1-(1-methoxycarbonylpiperidin-4-yl)-piperidin-4-yl]-3-(methylsulfonyl)-5-bromo-1,3-dihydro-2H-benzimidazol-2-one
Database identifiers
- PubChem CID
- 9892709
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 790
Related reactions
2 records
Compound notes
Loading…