4-(Benzyloxy)-N,N,2-trimethyl-1-tosyl-1H-benzo[d]imidazole-6-carboxamide
Basic information
- CAS
942195-85-9- Standard SMILES
Cc1ccc(S(=O)(=O)n2c(C)nc3c(OCc4ccccc4)cc(C(=O)N(C)C)cc32)cc1- InChIKey
FFQSZTTXODRQOL-UHFFFAOYSA-N- Molecular formula
- C25H25N3O4S
- Average molar mass
- 463.6 g/mol
- Monoisotopic mass
- 463.15657746
Names & identifiers
- Preferred name
- 4-(Benzyloxy)-N,N,2-trimethyl-1-tosyl-1H-benzo[d]imidazole-6-carboxamide
- IUPAC
- N,N,2-trimethyl-3-(4-methylphenyl)sulfonyl-7-phenylmethoxybenzimidazole-5-carboxamide
- English name
- 4-(benzyloxy)-N,N,2-trimethyl-1-tosyl-1H-benzo[d]imidazole-6-carboxamide
- Molecular formula
- C25H25N3O4S
- Molecular weight
- 463.55
Names & synonyms
942195-85-94-(Benzyloxy)-N,N,2-trimethyl-1-tosyl-1H-benzo[d]imidazole-6-carboxamideP5G3LN534XSCHEMBL1942215FFQSZTTXODRQOL-UHFFFAOYSA-N4-(Benzyloxy)-N,N,2-trimethyl-1-tosylbenzimidazole-6-carboxamideSY2732054-(Benzyloxy)-N,N,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-1H-benzimidazole-6-carboxamide1H-Benzimidazole-6-carboxamide, N,N,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-4-(phenylmethoxy)-N,N,2-Trimethyl-1-[(4-methylphenyl)sulfonyl]-4-(phenylmethoxy)-1H-benzimidazole-6-carboxamideN,N,2-Trimethyl-1-[(4-methylphenyl)sulfonyl]-4-[(phenylmethyl)oxy]-1H-benzimidazole-6-carboxamideAlbendazole Impurity 52
Show more names
3,4-(benzyloxy)-N,N,2-trimethyl-1-toluenesulfonyl-1H-benzo[D]imidazole-6-methylAmideN,N,2-trimethyl-1-[(4-methylphenyl)sulfonyl]-4-[(phenylmethyl)oxyl]-1H-benzimidazole-6-carboxamide
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 769
Physicochemical properties
- Boiling point
- 699.3 · 699.3±65.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 0.49 · 0.49±0.10(Predicted)
- InChI
- InChI=1S/C25H25N3O4S/c1-17-10-12-21(13-11-17)33(30,31)28-18(2)26-24-22(28)14-20(25(29)27(3)4)15-23(24)32-16-19-8-6-5-7-9-19/h5-15H,16H2,1-4H3
- InChIKey
- FFQSZTTXODRQOL-UHFFFAOYSA-N
- SMILES
- C1(C)N(S(C2=CC=C(C)C=C2)(=O)=O)C2=CC(C(N(C)C)=O)=CC(OCC3=CC=CC=C3)=C2N=1
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
8 records
Compound notes
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