2-[2-methoxy-5-(propan-2-yl)phenyl]-1-[(2R)-pyrrolidin-2-ylmethyl]-1H-imidazole

• ChemBase ID: 407300
• Molecular Formular: C18H25N3O
• Molecular Mass: 299.4106
• Monoisotopic Mass: 299.19976244
• SMILES: c1(c2cc(ccc2OC)C(C)C)n(ccn1)C[C@@H]1NCCC1
• Canonical SMILES: COc1ccc(cc1c1nccn1C[C@H]1CCCN1)C(C)C
• InChI: InChI=1S/C18H25N3O/c1-13(2)14-6-7-17(22-3)16(11-14)18-20-9-10-21(18)12-15-5-4-8-19-15/h6-7,9-11,13,15,19H,4-5,8,12H2,1-3H3/t15-/m1/s1
• InChIKey: OFPMUSYSADKVDS-OAHLLOKOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-methoxy-5-(propan-2-yl)phenyl]-1-[(2R)-pyrrolidin-2-ylmethyl]-1H-imidazole
• IUPAC Traditional name: 2-(5-isopropyl-2-methoxyphenyl)-1-[(2R)-pyrrolidin-2-ylmethyl]imidazole
• Synonyms: 2-(5-isopropyl-2-methoxyphenyl)-1-[(2R)-pyrrolidin-2-ylmethyl]-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.33502787
• LogD (pH = 7.4): 0.17898387
• Log P: 3.291721
• Molar Refractivity: 99.6007 cm^3
• Polarizability: 35.321396 Å^3
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.62
• LOG S: -2.61
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 5