Ethyl 4-chloro-3-((1-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-oxopropyl)azo)benzoate
Basic information
- CAS
79665-25-1- Standard SMILES
CCOC(=O)c1ccc(Cl)c(N=NC(C(C)=O)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1- InChIKey
CQPRNMLECRNDCD-UHFFFAOYSA-N- Molecular formula
- C20H18ClN5O5
- Average molar mass
- 443.8 g/mol
- Monoisotopic mass
- 443.0996464
Names & identifiers
- Preferred name
- Ethyl 4-chloro-3-((1-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-oxopropyl)azo)benzoate
- IUPAC
- ethyl 4-chloro-3-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoate
- English name
- ethyl 4-chloro-3-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoate
- Molecular formula
- C20H18ClN5O5
- Molecular weight
- 443.84
Names & synonyms
79665-25-1EINECS 279-212-2Ethyl 4-chloro-3-((1-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-oxopropyl)azo)benzoateCQPRNMLECRNDCD-UHFFFAOYSA-NDTXSID901108476NS00061127Ethyl 4-chloro-3-[2-[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]benzoateethyl 4-chloro-3-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoate4-Chloro-3-[[1-[[[(2,3-dihydro-2-oxo-1H-benzimidazol)-5-yl]amino]carbonyl]-2-oxopropyl]azo]benzoic acid ethyl esterBenzoic acid,4-chloro-3-[2-[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]-,ethyl ester
Database identifiers
- CAS
79665-25-1- PubChem CID
- 3018849
- DTXSID
DTXSID901108476- EC Number
- 279-212-2
- Nikkaji
- J320.132E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 747
Physicochemical properties
- Boiling point
- 560.137 · 560.137±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.502 · 1.502±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.974 · 0.974±0.59(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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