1-{[1-(methoxymethyl)cyclopropyl]methyl}-5-(1-methyl-1H-imidazol-2-yl)-4-phenyl-1H-imidazole

• ChemBase ID: 496177
• Molecular Formular: C19H22N4O
• Molecular Mass: 322.40418
• Monoisotopic Mass: 322.17936134
• SMILES: c1(n(cnc1c1ccccc1)CC1(CC1)COC)c1n(ccn1)C
• Canonical SMILES: COCC1(CC1)Cn1cnc(c1c1nccn1C)c1ccccc1
• InChI: InChI=1S/C19H22N4O/c1-22-11-10-20-18(22)17-16(15-6-4-3-5-7-15)21-14-23(17)12-19(8-9-19)13-24-2/h3-7,10-11,14H,8-9,12-13H2,1-2H3
• InChIKey: ZMJOCWOVXJMXIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[1-(methoxymethyl)cyclopropyl]methyl}-5-(1-methyl-1H-imidazol-2-yl)-4-phenyl-1H-imidazole
• IUPAC Traditional name: 1-{[1-(methoxymethyl)cyclopropyl]methyl}-5-(1-methylimidazol-2-yl)-4-phenylimidazole
• Synonyms: 3'-{[1-(methoxymethyl)cyclopropyl]methyl}-1-methyl-5'-phenyl-1H,3'H-2,4'-biimidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.365326
• LogD (pH = 7.4): 2.6763294
• Log P: 2.6824384
• Molar Refractivity: 104.3703 cm^3
• Polarizability: 37.9014 Å^3
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.78
• LOG S: -3.92
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 6