N-(2-fluorophenyl)-4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide

• ChemBase ID: 768805
• Molecular Formular: C21H22FN5O
• Molecular Mass: 379.4306832
• Monoisotopic Mass: 379.18083857
• SMILES: n1(c(ncc1)C1CCN(C(=O)Nc2c(F)cccc2)CC1)Cc1ncccc1
• Canonical SMILES: O=C(N1CCC(CC1)c1nccn1Cc1ccccn1)Nc1ccccc1F
• InChI: InChI=1S/C21H22FN5O/c22-18-6-1-2-7-19(18)25-21(28)26-12-8-16(9-13-26)20-24-11-14-27(20)15-17-5-3-4-10-23-17/h1-7,10-11,14,16H,8-9,12-13,15H2,(H,25,28)
• InChIKey: MCLPHPCXRYETPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-(2-fluorophenyl)-4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
• Synonyms: N-(2-fluorophenyl)-4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.4285965
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7995564
• LogD (pH = 7.4): 2.5247705
• Log P: 2.5537102
• Molar Refractivity: 105.6294 cm^3
• Polarizability: 39.51481 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.3
• LOG S: -1.78
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 4