N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide

C28H20ClF3N4O4 — CID 59362636

About N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide

N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 59362636) has the molecular formula C28H20ClF3N4O4 and a molecular weight of 568.94 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
• PubChem CID: 59362636
• Molecular Formula: C28H20ClF3N4O4
• Molecular Weight: 568.94 g/mol
• Exact Mass: 568.11
• IUPAC Name: N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
• SMILES: O=C(NC(COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Cl)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
• InChI: InChI=1S/C28H20ClF3N4O4/c29-19-6-2-1-4-17(19)24(14-40-16-7-8-22-23(12-16)35-28(39)34-22)33-26(37)18-5-3-9-36(27(18)38)13-15-10-20(30)25(32)21(31)11-15/h1-12,24H,13-14H2,(H,33,37)(H2,34,35,39)
• InChIKey: HZPKPVSWUSLHBR-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 108.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.94
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?

The IUPAC name of N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (CID 59362636) is N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?

The canonical SMILES for N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is O=C(NC(COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Cl)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O.

What is the InChIKey of N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?

The InChIKey is HZPKPVSWUSLHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClF3N4O4/c29-19-6-2-1-4-17(19)24(14-40-16-7-8-22-23(12-16)35-28(39)34-22)33-26(37)18-5-3-9-36(27(18)38)13-15-10-20(30)25(32)21(31)11-15/h1-12,24H,13-14H2,(H,33,37)(H2,34,35,39).

What are the key properties of N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?

N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 568.94 g/mol, XLogP of 4.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-chlorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59362636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).