N-(1H-Benzo[d]imidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
Basic information
- CAS
107249-97-8- Standard SMILES
COc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1OC- InChIKey
BHDNCFNMLJKFHV-UHFFFAOYSA-N- Molecular formula
- C17H17N3O3
- Average molar mass
- 311.33 g/mol
- Monoisotopic mass
- 311.12699141
Names & identifiers
- Preferred name
- N-(1H-Benzo[d]imidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
- IUPAC
- N-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
- English name
- Benzeneacetamide, N-1H-benzimidazol-2-yl-3,4-dimethoxy-
- Molecular formula
- C17H17N3O3
- Molecular weight
- 311.34
Names & synonyms
107249-97-8N-(1H-Benzo[d]imidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamideN-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamideWAY-656238(Z)-N-(1H-1,3-benzodiazol-2-yl)-2-(3,4-dimethoxyphenyl)ethanimidic acidCambridge id 7271525Oprea1_460007STK332309AKOS001101011AS-85174ST50451575G71673
Show more names
F576983SR-01000257019SR-01000257019-1N-benzimidazol-2-yl-2-(3,4-dimethoxyphenyl)acetamideZ27666318Benzeneacetamide, N-1H-benzimidazol-2-yl-3,4-dimethoxy-
Database identifiers
- CAS
107249-97-8- PubChem CID
- 853078
- EC Number
- 138-580-3
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Melting point
- 218 · 218-219 °C
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- pka
- 10.75 · 10.75±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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