5-(4-chlorophenyl)-1H-imidazol-2-amine

• ChemBase ID: 307936
• Molecular Formular: C9H8ClN3
• Molecular Mass: 193.63292
• Monoisotopic Mass: 193.04067495
• SMILES: [nH]1c(ncc1c1ccc(cc1)Cl)N
• Canonical SMILES: Clc1ccc(cc1)c1cnc([nH]1)N
• InChI: InChI=1S/C9H8ClN3/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-5H,(H3,11,12,13)
• InChIKey: YAMJPTFYDZETMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-chlorophenyl)-1H-imidazol-2-amine
• IUPAC Traditional name: 4-(4-chlorophenyl)-3H-imidazol-2-amine
• Synonyms: 5-(4-chlorophenyl)-1H-imidazol-2-amine

Database IDs

• CAS Number: 60472-18-6
• MDL Number: MFCD07382490

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8095823
• LogD (pH = 7.4): 0.9593967
• Log P: 1.881371
• Molar Refractivity: 53.005 cm^3
• Polarizability: 21.076393 Å^3
• Polar Surface Area: 54.7 Å^2