Benzimidazole, 2-(((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-, hydrochloride
Basic information
- CAS
87236-36-0- Standard SMILES
[Cl-].c1ccc(-c2nnc(SCc3[nH]c4ccccc4[nH+]3)n2-c2ccccc2)cc1- InChIKey
RGSBOTFFJGYTIM-UHFFFAOYSA-N- Molecular formula
- C22H18ClN5S
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.0971445
Names & identifiers
- Preferred name
- Benzimidazole, 2-(((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-, hydrochloride
- IUPAC
- 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazol-3-ium chloride
Names & synonyms
Benzimidazole, 2-(((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-, hydrochloride2-(((4,5-Diphenyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzimidazole hydrochloride87236-36-0RefChem:325834
Database identifiers
- CAS
87236-36-0- PubChem CID
- 55663
Properties
Computed structural properties
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 479
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…