Basic information
- Standard SMILES
COC(=O)c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12- InChIKey
NWKYEZWRAHUYCK-UHFFFAOYSA-N- Molecular formula
- C18H18BrN3O3
- Average molar mass
- 404.3 g/mol
- Monoisotopic mass
- 403.05315
Names & identifiers
- Preferred name
- Methyl 2-[(4-bromo-2-methoxy-6-methylphenyl)amino]-1-methyl-1H-benzimidazole-7-carboxylate
- IUPAC
- methyl 2-(4-bromo-2-methoxy-6-methylanilino)-3-methylbenzimidazole-4-carboxylate
Names & synonyms
SCHEMBL3287089NWKYEZWRAHUYCK-UHFFFAOYSA-NMethyl 2-[(4-bromo-2-methoxy-6-methylphenyl)amino]-1-methyl-1H-benzimidazole-7-carboxylate
Database identifiers
- PubChem CID
- 68582017
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Related reactions
4 records
Compound notes
Loading…