N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

• ChemBase ID: 388426
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c1(nc([nH]c1C)c1ccccc1)C(=O)NCC(N1CCCC1)c1occc1
• Canonical SMILES: O=C(c1nc([nH]c1C)c1ccccc1)NCC(c1ccco1)N1CCCC1
• InChI: InChI=1S/C21H24N4O2/c1-15-19(24-20(23-15)16-8-3-2-4-9-16)21(26)22-14-17(18-10-7-13-27-18)25-11-5-6-12-25/h2-4,7-10,13,17H,5-6,11-12,14H2,1H3,(H,22,26)(H,23,24)
• InChIKey: PLZFBCLQPDKICQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
• IUPAC Traditional name: N-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
• Synonyms: N-[2-(2-furyl)-2-pyrrolidin-1-ylethyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.619271
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6091482
• LogD (pH = 7.4): 2.3215556
• Log P: 2.7090075
• Molar Refractivity: 115.101 cm^3
• Polarizability: 40.313538 Å^3
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.73
• LOG S: -4.19
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 6