N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide
Basic information
- CAS
302950-22-7- Standard SMILES
O=C(NCCc1nc2ccccc2[nH]1)c1cccc(Br)c1- InChIKey
HKYPRNSPCNMSQK-UHFFFAOYSA-N- Molecular formula
- C16H14BrN3O
- Average molar mass
- 344.21 g/mol
- Monoisotopic mass
- 343.03202
Names & identifiers
- Preferred name
- N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide
- IUPAC
- N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide
- English name
- N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide
- Molecular formula
- C16H14BrN3O
- Molecular weight
- 344.21
Names & synonyms
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamideMLS000684837SMR000268306N-(2-(1H-benzo[d]imidazol-2-yl)ethyl)-3-bromobenzamideZINC00120551Opera_ID_373CBMicro_030716Oprea1_461106Oprea1_792060F0910-1563CHEMBL1319519SCHEMBL13406100
Show more names
Benzamide, N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromo-
HMS2619A24HMS5169K06STK378996AKOS001337208WAY-233764302950-22-7BIM-0030673.P001ST4102974
Database identifiers
- CAS
302950-22-7- PubChem CID
- 719793
- ChEMBL
CHEMBL1319519- EC Number
- 144-424-5
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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