2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one

C₆₆H₄₈F₁₂N₁₂O₆ — CID 157059116

About 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one

2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one (PubChem CID 157059116) has the molecular formula C₆₆H₄₈F₁₂N₁₂O₆ and a molecular weight of 1333.16 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

• Compound Name: 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
• PubChem CID: 157059116
• Molecular Formula: C₆₆H₄₈F₁₂N₁₂O₆
• Molecular Weight: 1333.16 g/mol
• Exact Mass: 1332.36
• IUPAC Name: 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
• SMILES: CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(-c3cc(F)cnc3F)c2)N=C1N.CN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2cccc(-c3cc(F)cnc3F)c2)N=C1N.CN1C(=O)[C@](c2ccc(OC(F)F)cc2)(c2cccc(-c3cc(F)cnc3F)c2)N=C1N
• InChI: InChI=1S/3C22H16F4N4O2/c3*1-30-19(31)22(29-21(30)27,13-5-7-16(8-6-13)32-20(25)26)14-4-2-3-12(9-14)17-10-15(23)11-28-18(17)24/h3*2-11,20H,1H3,(H2,27,29)/t2*22-;/m10./s1
• InChIKey: ABCNSLZJTXTHBM-UNDSNRBDSA-N
• XLogP: 10.98
• TPSA: 242.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1333.16
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?

The IUPAC name of 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one (CID 157059116) is 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one.

What is the SMILES notation for 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?

The canonical SMILES for 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one is CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(-c3cc(F)cnc3F)c2)N=C1N.CN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2cccc(-c3cc(F)cnc3F)c2)N=C1N.CN1C(=O)[C@](c2ccc(OC(F)F)cc2)(c2cccc(-c3cc(F)cnc3F)c2)N=C1N.

What is the InChIKey of 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?

The InChIKey is ABCNSLZJTXTHBM-UNDSNRBDSA-N. The full InChI is InChI=1S/3C22H16F4N4O2/c3*1-30-19(31)22(29-21(30)27,13-5-7-16(8-6-13)32-20(25)26)14-4-2-3-12(9-14)17-10-15(23)11-28-18(17)24/h3*2-11,20H,1H3,(H2,27,29)/t2*22-;/m10./s1.

What are the key properties of 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one?

2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one has a molecular weight of 1333.16 g/mol, XLogP of 10.98, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 157059116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157059116 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.