Basic information
- CAS
568551-30-4- Standard SMILES
O=C(Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1- InChIKey
YHPOVKCXHPJISA-UHFFFAOYSA-N- Molecular formula
- C15H11BrN2O
- Average molar mass
- 315.16 g/mol
- Monoisotopic mass
- 314.00548
Names & identifiers
- Preferred name
- 2-(1H-Benzimidazol-2-yl)-1-(4-bromophenyl)ethanone
- IUPAC
- 2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone
Names & synonyms
2-(1H-1,3-benzodiazol-2-yl)-1-(4-bromophenyl)ethan-1-one568551-30-42-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanoneDTXSID801228174RefChem:451373DTXCID201659416971-977-72-(1H-Benzoimidazol-2-yl)-1-(4-bromo-phenyl)-ethanoneMLS001005144CHEMBL1305912HMS2753K20AKOS000115203
Show more names
SMR000378020CS-0218581EN300-01425G354012-(1H-Benzimidazol-2-yl)-1-(4-bromophenyl)ethan-1-one
Database identifiers
- CAS
568551-30-4- PubChem CID
- 2392375
- DTXSID
DTXSID801228174- ChEMBL
CHEMBL1305912- EC Number
- 971-977-7
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
Solubility24.6 [ug/mL] (The mean of the results at pH 7.4)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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