Basic information
- CAS
338978-68-0- Standard SMILES
Clc1ccc(COn2c(-c3ccccc3)nc3ccc(Cl)cc32)c(Cl)c1- InChIKey
DJRJNRMGEQHELN-UHFFFAOYSA-N- Molecular formula
- C20H13Cl3N2O
- Average molar mass
- 403.7 g/mol
Names & identifiers
- Preferred name
- 6-chloro-1-[(2,4-dichlorobenzyl)oxy]-2-phenyl-1H-1,3-benzimidazole
- IUPAC
- 6-chloro-1-[(2,4-dichlorophenyl)methoxy]-2-phenylbenzimidazole
- English name
- 6-Chloro-1-[(2,4-dichlorobenzyl)oxy]-2-phenyl-1H-1,3-benzimidazole
- Molecular formula
- C20H13Cl3N2O
- Molecular weight
- 403.69
Names & synonyms
338978-68-06-chloro-1-[(2,4-dichlorobenzyl)oxy]-2-phenyl-1H-1,3-benzimidazole6-chloro-1-[(2,4-dichlorophenyl)methoxy]-2-phenyl-1H-1,3-benzodiazole6-chloro-1-[(2,4-dichlorophenyl)methoxy]-2-phenylbenzimidazoleAKOS0051046569F-337S1H-Benzimidazole, 6-chloro-1-[(2,4-dichlorophenyl)methoxy]-2-phenyl-
Database identifiers
- CAS
338978-68-0
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Boiling point
- 560.5 · 560.5±60.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 1.94 · 1.94±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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