[5-(3-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}piperidine-1-carbonyl)furan-2-yl]methanol

• ChemBase ID: 685585
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: c1(C2CN(C(=O)c3oc(cc3)CO)CCC2)n(ccn1)CCCN(C)C
• Canonical SMILES: OCc1ccc(o1)C(=O)N1CCCC(C1)c1nccn1CCCN(C)C
• InChI: InChI=1S/C19H28N4O3/c1-21(2)9-4-11-22-12-8-20-18(22)15-5-3-10-23(13-15)19(25)17-7-6-16(14-24)26-17/h6-8,12,15,24H,3-5,9-11,13-14H2,1-2H3
• InChIKey: CUUMWZRZSQDPPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(3-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}piperidine-1-carbonyl)furan-2-yl]methanol
• IUPAC Traditional name: [5-(3-{1-[3-(dimethylamino)propyl]imidazol-2-yl}piperidine-1-carbonyl)furan-2-yl]methanol
• Synonyms: {5-[(3-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}-1-piperidinyl)carbonyl]-2-furyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.64104
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.8666553
• LogD (pH = 7.4): -2.0532281
• Log P: 0.2166209
• Molar Refractivity: 100.833 cm^3
• Polarizability: 38.053436 Å^3
• Polar Surface Area: 74.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.22
• LOG S: -2.95
• Polar Surface Area: 74.74 Å^2
• Rotatable Bonds: 7