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

C28H21F3N4O5 — CID 59362759

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

N-[1-(4-hydroxyphenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 59362759) has the molecular formula C28H21F3N4O5 and a molecular weight of 550.49 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)-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-(4-hydroxyphenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
• PubChem CID: 59362759
• Molecular Formula: C28H21F3N4O5
• Molecular Weight: 550.49 g/mol
• Exact Mass: 550.15
• IUPAC Name: N-[1-(4-hydroxyphenyl)-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)c1ccc(O)cc1)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
• InChI: InChI=1S/C28H21F3N4O5/c29-20-10-15(11-21(30)25(20)31)13-35-9-1-2-19(27(35)38)26(37)32-24(16-3-5-17(36)6-4-16)14-40-18-7-8-22-23(12-18)34-28(39)33-22/h1-12,24,36H,13-14H2,(H,32,37)(H2,33,34,39)
• InChIKey: CKRYYSZUMGDZFD-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 129.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.49
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)-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-(4-hydroxyphenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]ethyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (CID 59362759) is N-[1-(4-hydroxyphenyl)-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-(4-hydroxyphenyl)-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-(4-hydroxyphenyl)-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)c1ccc(O)cc1)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O.

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

The InChIKey is CKRYYSZUMGDZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4O5/c29-20-10-15(11-21(30)25(20)31)13-35-9-1-2-19(27(35)38)26(37)32-24(16-3-5-17(36)6-4-16)14-40-18-7-8-22-23(12-18)34-28(39)33-22/h1-12,24,36H,13-14H2,(H,32,37)(H2,33,34,39).

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

N-[1-(4-hydroxyphenyl)-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 550.49 g/mol, XLogP of 3.74, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-hydroxyphenyl)-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 59362759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).