4-[10-Chloro-7-(1-ethylpropyl)-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,2-a]benzimidazol-1-yl]-N,N,3-trimethylaniline
Basic information
- Standard SMILES
CCC(CC)c1ccc(Cl)c2nc3n(c12)CCCCN3c1ccc(N(C)C)cc1C- InChIKey
ZAWFMEZKZHKHPJ-UHFFFAOYSA-N- Molecular formula
- C25H33ClN4
- Average molar mass
- 425 g/mol
- Monoisotopic mass
- 424.2393748
Names & identifiers
- Preferred name
- 4-[10-Chloro-7-(1-ethylpropyl)-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,2-a]benzimidazol-1-yl]-N,N,3-trimethylaniline
- IUPAC
- 4-(10-chloro-7-pentan-3-yl-2,3,4,5-tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-1-yl)-N,N,3-trimethylaniline
Names & synonyms
SCHEMBL4101206ZAWFMEZKZHKHPJ-UHFFFAOYSA-N4-[10-Chloro-7-(1-ethylpropyl)-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,2-a]benzimidazol-1-yl]-N,N,3-trimethylaniline
Database identifiers
- PubChem CID
- 57786242
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 24.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 553
Related reactions
2 records
Compound notes
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