Basic information
- CAS
5504-68-7- Standard SMILES
Cc1ccc2nc3c4cccc5cccc(c(=O)n3c2c1)c54- InChIKey
ZLFVODKBPKTDSK-UHFFFAOYSA-N- Molecular formula
- C19H12N2O
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.09496301
Names & identifiers
- Preferred name
- 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 10-methyl-
- IUPAC
- 7-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one
- English name
- 10-Methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one
- Molecular formula
- C19H12N2O
- Molecular weight
- 284.31
Names & synonyms
5-MethylnaftoylbenzimidazolBRN 02558155-Methylnaftoylbenzimidazol [Czech]7H-Benzimidazo(2,1-a)benz(de)isoquinolin-7-one, 10-methyl-5504-68-710-Methyl-7H-benzimidazo(2,1-a)benz(de)isoquinolin-7-oneDTXSID902035884-24-00-00779 (Beilstein Handbook Reference)7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 10-methyl-RefChem:106659DTXCID2012607910-Methyl-7H-[1,3]benzimidazo[2,1-a]benzo[de]isoquinolin-7-one
Show more names
10-Methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 10-methyl- (6CI,7CI,8CI)
Database identifiers
- CAS
5504-68-7- PubChem CID
- 200025
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Melting point
- 190 · 190-191 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 426.81 °C · 426.81°C (rough estimate)
- Density
- 1.1865 · 1.1865 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- pka
- 2.3 · 2.30±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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