Basic information
- CAS
92715-65-6- Standard SMILES
CN(C)Cc1cccc(Cc2cnc(NCCCOc3ccc4nc(CN(C)C)[nH]c4c3)[nH]c2=O)c1- InChIKey
ZSGNNQORCUVAJU-UHFFFAOYSA-N- Molecular formula
- C27H35N7O2
- Average molar mass
- 489.6 g/mol
- Monoisotopic mass
- 489.28522338
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 2-((3-((2-((dimethylamino)methyl)-1H-benzimidazol-5-yl)oxy)propyl)amino)-5-((3-((dimethylamino)methyl)phenyl)methyl)-
- IUPAC
- 2-[3-[[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]oxy]propylamino]-5-[[3-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrimidin-6-one
Names & synonyms
4(1H)-Pyrimidinone, 2-((3-((2-((dimethylamino)methyl)-1H-benzimidazol-5-yl)oxy)propyl)amino)-5-((3-((dimethylamino)methyl)phenyl)methyl)-92715-65-6RefChem:1069064
Database identifiers
- CAS
92715-65-6- PubChem CID
- 13453052
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 784
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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