4-(4-bromophenyl)-1,2-dimethyl-1H-imidazol-5-amine

• ChemBase ID: 278352
• Molecular Formular: C11H12BrN3
• Molecular Mass: 266.13708
• Monoisotopic Mass: 265.0214594
• SMILES: c1(n(c(nc1c1ccc(cc1)Br)C)C)N
• Canonical SMILES: Brc1ccc(cc1)c1nc(n(c1N)C)C
• InChI: InChI=1S/C11H12BrN3/c1-7-14-10(11(13)15(7)2)8-3-5-9(12)6-4-8/h3-6H,13H2,1-2H3
• InChIKey: YHCWGTUUTGHKPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-bromophenyl)-1,2-dimethyl-1H-imidazol-5-amine
• IUPAC Traditional name: 5-(4-bromophenyl)-2,3-dimethylimidazol-4-amine
• Synonyms: 4-(4-bromophenyl)-1,2-dimethyl-1H-imidazol-5-amine

Database IDs

• MDL Number: MFCD16694906
• PubChem SID: 164334262
• PubChem CID: 53275824

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.83032936
• LogD (pH = 7.4): 1.8824469
• Log P: 2.26371
• Molar Refractivity: 64.6909 cm^3
• Polarizability: 25.44141 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.941

Product Information

• Purity: 95%