2-(2-{5-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-4-phenyl-1H-imidazol-1-yl}ethyl)piperidine

• ChemBase ID: 513169
• Molecular Formular: C22H29N5O
• Molecular Mass: 379.49856
• Monoisotopic Mass: 379.23721057
• SMILES: c1(c2n(ccn2)CCOC)c(ncn1CCC1NCCCC1)c1ccccc1
• Canonical SMILES: COCCn1ccnc1c1n(CCC2CCCCN2)cnc1c1ccccc1
• InChI: InChI=1S/C22H29N5O/c1-28-16-15-26-14-12-24-22(26)21-20(18-7-3-2-4-8-18)25-17-27(21)13-10-19-9-5-6-11-23-19/h2-4,7-8,12,14,17,19,23H,5-6,9-11,13,15-16H2,1H3
• InChIKey: KNFYEGTWZPKNER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{5-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-4-phenyl-1H-imidazol-1-yl}ethyl)piperidine
• IUPAC Traditional name: 2-(2-{5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl}ethyl)piperidine
• Synonyms: 1-(2-methoxyethyl)-5'-phenyl-3'-(2-piperidin-2-ylethyl)-1H,3'H-2,4'-biimidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.81380033
• LogD (pH = 7.4): -0.10442093
• Log P: 2.720219
• Molar Refractivity: 121.9498 cm^3
• Polarizability: 44.96059 Å^3
• Polar Surface Area: 56.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.39
• LOG S: -3.85
• Polar Surface Area: 56.9 Å^2
• Rotatable Bonds: 8