1-(2-aminopyrimidin-4-yl)-6-bromo-2,3-dihydro-1H-1,3-benzodiazol-2-one
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Basic information
- Standard SMILES
Nc1nccc(-n2c(=O)[nH]c3ccc(Br)cc32)n1- InChIKey
PBPBVGJASXFENU-UHFFFAOYSA-N- Molecular formula
- C11H8BrN5O
- Average molar mass
- 306.12 g/mol
Names & identifiers
- Preferred name
- 1-(2-aminopyrimidin-4-yl)-6-bromo-2,3-dihydro-1H-1,3-benzodiazol-2-one
- IUPAC
- 3-(2-aminopyrimidin-4-yl)-5-bromo-1H-benzimidazol-2-one
Names & synonyms
SCHEMBL11971186PBPBVGJASXFENU-UHFFFAOYSA-N1-(2-aminopyrimidin-4-yl)-6-bromo-2,3-dihydro-1H-1,3-benzodiazol-2-one
Database identifiers
- PubChem CID
- 68182007
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
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Related reactions
3 records
Compound notes
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