2-Bromo-1-(4-imidazol-1-yl-phenyl)ethanone

HCID 20031311
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Basic information

CAS
110668-69-4
Standard SMILES
O=C(CBr)c1ccc(-n2ccnc2)cc1
InChIKey
DDQNJOAJAWHIFL-UHFFFAOYSA-N
Molecular formula
C11H9BrN2O
Average molar mass
265.11 g/mol
Monoisotopic mass
263.98983

Names & identifiers

Preferred name
2-Bromo-1-(4-imidazol-1-yl-phenyl)ethanone
IUPAC
2-bromo-1-(4-imidazol-1-ylphenyl)ethanone
English name
2-Bromo-1-(4-imidazol-1-yl-phenyl)-ethanone
Molecular formula
C11H9BrN2O
Molecular weight
265.11

Names & synonyms

110668-69-42-Bromo-1-(4-imidazol-1-yl-phenyl)ethanone2-Bromo-1-(4-imidazol-1-ylphenyl)ethanone2-BROMO-4'-(IMIDAZOL-1-YL)ACETOPHENONE2-Bromo-1-[4-(1H-imidazol-1-yl)phenyl]ethanone2-Bromo-1-[4-(1H-imidazol-1-yl)phenyl]ethan-1-one2-Bromo-1-(4-imidazol-1-yl-phenyl)-ethanoneSCHEMBL655149DTXSID70601826SBB051665AKOS016006212AB27180
Show more names
2-Bromo-4’-(imidazol-1-yl)acetophenone2-bromo-1-[4-(1-imidazolyl)phenyl]ethanone2-Bromo-1-(5-bromo-2-methoxyphenyl)ethan-1-one1-(4-(1H-imidazol-1-yl)phenyl)-2-bromoethanoneEthanone, 2-bromo-1-[4-(1H-imidazol-1-yl)phenyl]-
DA-155332-bromo-1-(4-imidazolylphenyl)ethan-1-one1-(4-(1H-imidazol-1-yl)phenyl)-2-bromoethan-1-one

Database identifiers

CAS
110668-69-4
PubChem CID
20031311
DTXSID
DTXSID70601826

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
34.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Boiling point
405 · 405.0±25.0 °C(Predicted)
Density
1.48 · 1.48±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
DMSO (Slightly), Water (Slightly, Sonicated)
pka
4.97 · 4.97±0.10(Predicted)
form
Solid

Chemistry & industry

Applications

UsesAn imidazole derivative as CB 1 receptor inverse agonist.

Suppliers14 total

宁波振岳医药科技有限公司19817745290 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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