1-methyl-4-{4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}imidazolidin-2-one

• ChemBase ID: 856963
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: C1(NC(=O)N(C1)C)C(=O)N1CCC(c2n(ccn2)Cc2ncccc2)CC1
• Canonical SMILES: O=C(C1NC(=O)N(C1)C)N1CCC(CC1)c1nccn1Cc1ccccn1
• InChI: InChI=1S/C19H24N6O2/c1-23-13-16(22-19(23)27)18(26)24-9-5-14(6-10-24)17-21-8-11-25(17)12-15-4-2-3-7-20-15/h2-4,7-8,11,14,16H,5-6,9-10,12-13H2,1H3,(H,22,27)
• InChIKey: VNOORBWQAFXAIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-{4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}imidazolidin-2-one
• IUPAC Traditional name: 1-methyl-4-{4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl}imidazolidin-2-one
• Synonyms: 1-methyl-4-({4-[1-(2-pyridinylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)-2-imidazolidinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.278244
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2018895
• LogD (pH = 7.4): -0.47663775
• Log P: -0.44773597
• Molar Refractivity: 99.3311 cm^3
• Polarizability: 38.14407 Å^3
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.44
• LOG S: -1.52
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 4