Basic information
- Standard SMILES
CC(Nc1nccc(-n2cnc3cc(-c4ccc(Br)cc4)ccc32)n1)c1ccccc1- InChIKey
VRZLGSQTRSGKBE-UHFFFAOYSA-N- Molecular formula
- C25H20BrN5
- Average molar mass
- 470.4 g/mol
- Monoisotopic mass
- 469.09021
Names & identifiers
- Preferred name
- 4-[5-(4-bromophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
- IUPAC
- 4-[5-(4-bromophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
Database identifiers
- PubChem CID
- 18375975
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 562
Related reactions
1 records
Linked notes
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