N-(2-bromo-6-fluorophenyl)-4,5-dihydro(4,4,5,5-2H4)-1H-imidazol-2-amine hydrochloride

• ChemBase ID: 177593
• Molecular Formular: C9H10BrClFN3
• Molecular Mass: 294.5512032
• Monoisotopic Mass: 292.97306524
• SMILES: c1(c(c(ccc1)F)NC1=NCCN1)Br.Cl
• Canonical SMILES: Fc1cccc(c1NC1=NCCN1)Br.Cl
• InChI: InChI=1S/C9H9BrFN3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H
• InChIKey: SDXVSIWCVTYYQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-bromo-6-fluorophenyl)-4,5-dihydro(4,4,5,5-^2H₄)-1H-imidazol-2-amine hydrochloride
• IUPAC Traditional name: N-(2-bromo-6-fluorophenyl)(4,4,5,5-^2H₄)-1H-imidazol-2-amine hydrochloride
• Synonyms: N-(2-Bromo-6-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine Hydrochloride; STH 2130Cl; Sedivet; Romifidine-d4 Hydrochloride

Database IDs

• PubChem SID: 164233503
• PubChem CID: 71752100

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.008048988
• LogD (pH = 7.4): 1.4529923
• Log P: 2.188454
• Molar Refractivity: 57.3184 cm^3
• Polarizability: 20.76471 Å^3
• Polar Surface Area: 36.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - R640052

Labelled Romifidine (R640050). An α2 agonist use as a sedative and analgesic.

REFERENCES

• Celly, C., et al.: J. Vet. Pharmacol. Ther., 20, 464 (1997)
• Nazifi, S., et al.: Res. Vet. Sci., 65, 83 (1997)