3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]propanamide

• ChemBase ID: 623673
• Molecular Formular: C14H21N5O3
• Molecular Mass: 307.34824
• Monoisotopic Mass: 307.16443956
• SMILES: N1C(=O)NC(C1=O)CCC(=O)N(CCCc1n(ccn1)C)C
• Canonical SMILES: O=C1NC(=O)C(N1)CCC(=O)N(CCCc1nccn1C)C
• InChI: InChI=1S/C14H21N5O3/c1-18-9-7-15-11(18)4-3-8-19(2)12(20)6-5-10-13(21)17-14(22)16-10/h7,9-10H,3-6,8H2,1-2H3,(H2,16,17,21,22)
• InChIKey: DZJNPFZJMHCIAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]propanamide
• IUPAC Traditional name: 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide
• Synonyms: 3-(2,5-dioxo-4-imidazolidinyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.63747
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8992711
• LogD (pH = 7.4): -1.2067093
• Log P: -1.1656779
• Molar Refractivity: 79.1915 cm^3
• Polarizability: 30.313412 Å^3
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.93
• LOG S: -1.1
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 7