2-Bromo-1-(triphenylmethyl)-1H-imidazole

C22H17BrN2CAS 67478-47-1389.30 g/mol

Open in Covalent MOL file
BrNN
Aryl halide

Properties

Molecular formula
C22H17BrN2
Molar mass
389.30 g/mol
Exact mass
388.0575 Da
Melting point
208–209 °C
logP
5.49Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
67478-47-1
SMILES
Brc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
CSRUMYQPYPNDPR-UHFFFAOYSA-N
InChI
InChI=1S/C22H17BrN2/c23-21-24-16-17-25(21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H

Weigh it out

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

Names and synonyms

3 names
  • 1H-Imidazole, 2-bromo-1-(triphenylmethyl)-
  • 2-Bromo-1-trityl-1H-imidazole
  • 2-Bromo-1-tritylimidazole

Work with 2-Bromo-1-(triphenylmethyl)-1H-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

Dechloroclotrimazole15469-97-342 % similar 2-Bromo-1-methyl-1H-imidazole16681-59-738 % similar 4-Iodo-1-tritylimidazole96797-15-835 % similar Tram-34289905-88-034 % similar Clotrimazole23593-75-133 % similar 1-Tritylimidazole-4-carboxaldehyde33016-47-633 % similar [1-(Triphenylmethyl)-1H-imidazol-4-yl]methanol33769-07-233 % similar 8-Bromo-imidazo[1,2-A]pyridine850349-02-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1-trityl-1H-imidazole87941-55-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook