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

• ChemBase ID: 493046
• Molecular Formular: C19H18N4S
• Molecular Mass: 334.43802
• Monoisotopic Mass: 334.1252176
• SMILES: c1(n(C(c2sccc2)C)ccn1)c1c(Cn2nccc2)cccc1
• Canonical SMILES: CC(n1ccnc1c1ccccc1Cn1cccn1)c1cccs1
• InChI: InChI=1S/C19H18N4S/c1-15(18-8-4-13-24-18)23-12-10-20-19(23)17-7-3-2-6-16(17)14-22-11-5-9-21-22/h2-13,15H,14H2,1H3
• InChIKey: RWXNFYFXCKULEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7780287
• LogD (pH = 7.4): 4.2930255
• Log P: 4.309485
• Molar Refractivity: 118.4484 cm^3
• Polarizability: 37.418568 Å^3
• Polar Surface Area: 35.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.86
• LOG S: -4.08
• Polar Surface Area: 35.64 Å^2
• Rotatable Bonds: 5