1-(4-Bromophenyl)imidazole

C9H7BrN2CAS 10040-96-7223.07 g/mol

Open in Covalent MOL file
NNBr
Aryl halide

Properties

Molecular formula
C9H7BrN2
Molar mass
223.07 g/mol
Exact mass
221.9793 Da
logP
2.63Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
10040-96-7
SMILES
C1=CC(=CC=C1N2C=CN=C2)Br
InChIKey
SERULNRLZWOYPK-UHFFFAOYSA-N
InChI
InChI=1S/C9H7BrN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-(4-Bromophenyl)imidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4'-Di(1H-imidazol-1-yl)-1,1'-biphenyl855766-92-667 % similar 4-(1H-Imidazol-1-yl)phenol10041-02-866 % similar Tris[4-(1H-imidazol-1-yl)-phenyl]amine1258947-79-362 % similar 1-Phenylimidazole7164-98-961 % similar 1-(4-Fluorophenyl)imidazole21441-24-760 % similar 4-(1H-Imidazol-1-yl)aniline2221-00-360 % similar 1,3,5-Tri(1H-imidazol-1-yl)benzene528543-96-656 % similar 1-(4-Methoxyphenyl)-1H-imidazole10040-95-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromoisoquinolin-3-amine13130-79-5 6-Bromo-1-isoquinolinamine215453-26-2 5-Bromo-quinolin-8-ylamine53472-18-7 3-(4-Bromophenyl)-1H-pyrazole73387-46-9

Elsewhere

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