1-[3-(cyclopentyloxy)phenyl]-3-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]urea

• ChemBase ID: 531919
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: n1(c(cnc1)CNC(=O)Nc1cc(OC2CCCC2)ccc1)C1CC1
• Canonical SMILES: O=C(Nc1cccc(c1)OC1CCCC1)NCc1cncn1C1CC1
• InChI: InChI=1S/C19H24N4O2/c24-19(21-12-16-11-20-13-23(16)15-8-9-15)22-14-4-3-7-18(10-14)25-17-5-1-2-6-17/h3-4,7,10-11,13,15,17H,1-2,5-6,8-9,12H2,(H2,21,22,24)
• InChIKey: WUBKUVORILTHEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(cyclopentyloxy)phenyl]-3-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]urea
• IUPAC Traditional name: 1-[3-(cyclopentyloxy)phenyl]-3-[(3-cyclopropylimidazol-4-yl)methyl]urea
• Synonyms: N-[3-(cyclopentyloxy)phenyl]-N'-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]urea

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.120441
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0437639
• LogD (pH = 7.4): 2.4826643
• Log P: 2.5133622
• Molar Refractivity: 96.9236 cm^3
• Polarizability: 36.623764 Å^3
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.53
• LOG S: -3.84
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 6