1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one

C23H16Cl2F2N4O2 — CID 87741513

About 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one

1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one (PubChem CID 87741513) has the molecular formula C23H16Cl2F2N4O2 and a molecular weight of 489.31 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one
• PubChem CID: 87741513
• Molecular Formula: C23H16Cl2F2N4O2
• Molecular Weight: 489.31 g/mol
• Exact Mass: 488.06
• IUPAC Name: 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one
• SMILES: Cn1ccnc1CO/N=C(/c1ccc(=O)n(-c2c(Cl)cccc2Cl)c1)c1ccc(F)cc1F
• InChI: InChI=1S/C23H16Cl2F2N4O2/c1-30-10-9-28-20(30)13-33-29-22(16-7-6-15(26)11-19(16)27)14-5-8-21(32)31(12-14)23-17(24)3-2-4-18(23)25/h2-12H,13H2,1H3/b29-22-
• InChIKey: CHUNIQGOUWDRRO-IADYIPOJSA-N
• XLogP: 5.13
• TPSA: 61.41 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.31
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one?

The IUPAC name of 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one (CID 87741513) is 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one.

What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one?

The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one is Cn1ccnc1CO/N=C(/c1ccc(=O)n(-c2c(Cl)cccc2Cl)c1)c1ccc(F)cc1F.

What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one?

The InChIKey is CHUNIQGOUWDRRO-IADYIPOJSA-N. The full InChI is InChI=1S/C23H16Cl2F2N4O2/c1-30-10-9-28-20(30)13-33-29-22(16-7-6-15(26)11-19(16)27)14-5-8-21(32)31(12-14)23-17(24)3-2-4-18(23)25/h2-12H,13H2,1H3/b29-22-.

What are the key properties of 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one?

1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one has a molecular weight of 489.31 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methoxy]carbonimidoyl]pyridin-2-one is sourced from PubChem (CID 87741513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).