5-(3-methoxyphenyl)-1H-imidazol-2-amine

• ChemBase ID: 307937
• Molecular Formular: C10H11N3O
• Molecular Mass: 189.21384
• Monoisotopic Mass: 189.09021199
• SMILES: [nH]1c(ncc1c1cc(OC)ccc1)N
• Canonical SMILES: COc1cccc(c1)c1cnc([nH]1)N
• InChI: InChI=1S/C10H11N3O/c1-14-8-4-2-3-7(5-8)9-6-12-10(11)13-9/h2-6H,1H3,(H3,11,12,13)
• InChIKey: STJWZSDDFZMYNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 933722-31-7
• MDL Number: MFCD11901331

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.048058823
• LogD (pH = 7.4): 0.20755681
• Log P: 1.119655
• Molar Refractivity: 54.6634 cm^3
• Polarizability: 21.744617 Å^3
• Polar Surface Area: 63.93 Å^2