1-cyclopentyl-2-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]-1H-imidazole

• ChemBase ID: 362193
• Molecular Formular: C19H22N4O
• Molecular Mass: 322.40418
• Monoisotopic Mass: 322.17936134
• SMILES: c1(n(ccn1)C1CCCC1)c1cc(Cn2nccc2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1Cn1cccn1)c1nccn1C1CCCC1
• InChI: InChI=1S/C19H22N4O/c1-24-18-8-7-15(13-16(18)14-22-11-4-9-21-22)19-20-10-12-23(19)17-5-2-3-6-17/h4,7-13,17H,2-3,5-6,14H2,1H3
• InChIKey: BJRTUOCWWMVRJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-2-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]-1H-imidazole
• IUPAC Traditional name: 1-cyclopentyl-2-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]imidazole
• Synonyms: 1-[5-(1-cyclopentyl-1H-imidazol-2-yl)-2-methoxybenzyl]-1H-pyrazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8399258
• LogD (pH = 7.4): 3.4296272
• Log P: 3.452586
• Molar Refractivity: 115.4035 cm^3
• Polarizability: 36.486134 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: 2.72
• LOG S: -3.87
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 5