2-(3-Bromobenzoyl)-1H-imidazole

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Basic information

CAS: 554440-05-0
Standard SMILES: O=C(c1cccc(Br)c1)c1ncc[nH]1
InChIKey: PABCZDAEVWYYJW-UHFFFAOYSA-N
Molecular formula: C10H7BrN2O
Average molar mass: 251.08 g/mol
Monoisotopic mass: 249.97418

Names & identifiers

Preferred name: 2-(3-Bromobenzoyl)-1H-imidazole
IUPAC: (3-bromophenyl)-(1H-imidazol-2-yl)methanone

Names & synonyms

2-(3-Bromobenzoyl)-1H-imidazole554440-05-0SCHEMBL4069827PABCZDAEVWYYJW-UHFFFAOYSA-NDTXSID3012723262-(3-Bromobenzoyl)-1 H-imidazole(3-Bromophenyl)-1H-imidazol-2-ylmethanone(3-Bromophenyl)(1H-imidazol-2-yl)methanone

Database identifiers

CAS: 554440-05-0
PubChem CID: 3418429
DTXSID: DTXSID301272326

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 222

Related reactions

4 records

New reaction record

HRID 168982As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 272654As productuspto-grants-2008_11

HRID 272655As reactantuspto-grants-2008_11

HRID 2333562As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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