Basic information
- CAS
385796-24-7- Standard SMILES
CCCCCCCNC(=O)C(C#N)=NNc1ccc2nc(-c3ccccc3)[nH]c2c1- InChIKey
ZDVMWBGKKNVMQK-UHFFFAOYSA-N- Molecular formula
- C23H26N6O
- Average molar mass
- 402.5 g/mol
Names & identifiers
- Preferred name
- 2-(heptylamino)-2-oxo-N-[(2-phenyl-3H-benzimidazol-5-yl)amino]ethanimidoyl cyanide
- IUPAC
- 2-(heptylamino)-2-oxo-N-[(2-phenyl-3H-benzimidazol-5-yl)amino]ethanimidoyl cyanide
- English name
- 2-cyano-N-heptyl-2-[(2-phenyl-1H-benzimidazol-6-yl)hydrazono]acetamide
- Molecular formula
- C23H26N6O
- Molecular weight
- 402.49
Names & synonyms
2-cyano-N-heptyl-2-[(2-phenyl-1H-benzimidazol-6-yl)hydrazono]acetamide
Database identifiers
- CAS
385796-24-7
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 620
Physicochemical properties
- Density
- 1.206 · 1.206±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.807 · 9.807±0.30(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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