4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide

• ChemBase ID: 853037
• Molecular Formular: C16H20N4O2
• Molecular Mass: 300.3556
• Monoisotopic Mass: 300.1586259
• SMILES: c1(nc(c[nH]1)C)C(=O)N(Cc1ccncc1)CC1OCCC1
• Canonical SMILES: Cc1c[nH]c(n1)C(=O)N(Cc1ccncc1)CC1CCCO1
• InChI: InChI=1S/C16H20N4O2/c1-12-9-18-15(19-12)16(21)20(11-14-3-2-8-22-14)10-13-4-6-17-7-5-13/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,18,19)
• InChIKey: BZAHVFADFDIPQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide
• IUPAC Traditional name: 4-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide
• Synonyms: 4-methyl-N-(pyridin-4-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)-1H-imidazole-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.231388
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4756894
• LogD (pH = 7.4): 0.5853693
• Log P: 0.58707297
• Molar Refractivity: 82.6637 cm^3
• Polarizability: 31.474474 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.13
• LOG S: -1.51
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 5