1-[2-(furan-2-yl)ethyl]-2-[2-(1H-pyrazol-1-ylmethyl)phenyl]-1H-imidazole

• ChemBase ID: 863092
• Molecular Formular: C19H18N4O
• Molecular Mass: 318.37242
• Monoisotopic Mass: 318.14806122
• SMILES: c1(n(ccn1)CCc1occc1)c1c(Cn2nccc2)cccc1
• Canonical SMILES: c1cnn(c1)Cc1ccccc1c1nccn1CCc1ccco1
• InChI: InChI=1S/C19H18N4O/c1-2-7-18(16(5-1)15-23-11-4-9-21-23)19-20-10-13-22(19)12-8-17-6-3-14-24-17/h1-7,9-11,13-14H,8,12,15H2
• InChIKey: SUVSGZQYTIRUDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(furan-2-yl)ethyl]-2-[2-(1H-pyrazol-1-ylmethyl)phenyl]-1H-imidazole
• IUPAC Traditional name: 1-[2-(furan-2-yl)ethyl]-2-[2-(pyrazol-1-ylmethyl)phenyl]imidazole
• Synonyms: 1-(2-{1-[2-(2-furyl)ethyl]-1H-imidazol-2-yl}benzyl)-1H-pyrazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.534927
• LogD (pH = 7.4): 3.0813317
• Log P: 3.1002347
• Molar Refractivity: 114.396 cm^3
• Polarizability: 35.55546 Å^3
• Polar Surface Area: 48.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.42
• LOG S: -3.59
• Polar Surface Area: 48.78 Å^2
• Rotatable Bonds: 6