N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide

C19H17FIN3O5 — CID 91554902

About N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide

N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide (PubChem CID 91554902) has the molecular formula C19H17FIN3O5 and a molecular weight of 513.26 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide
• PubChem CID: 91554902
• Molecular Formula: C19H17FIN3O5
• Molecular Weight: 513.26 g/mol
• Exact Mass: 513.02
• IUPAC Name: N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide
• SMILES: O=C(Cn1c(O)c(-c2ccc(OCCO)cc2)[nH]c1=O)Nc1ccc(I)cc1F
• InChI: InChI=1S/C19H17FIN3O5/c20-14-9-12(21)3-6-15(14)22-16(26)10-24-18(27)17(23-19(24)28)11-1-4-13(5-2-11)29-8-7-25/h1-6,9,25,27H,7-8,10H2,(H,22,26)(H,23,28)
• InChIKey: MPEDJRFLLGLJQH-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 116.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.26
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide?

The IUPAC name of N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide (CID 91554902) is N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide.

What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide?

The canonical SMILES for N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide is O=C(Cn1c(O)c(-c2ccc(OCCO)cc2)[nH]c1=O)Nc1ccc(I)cc1F.

What is the InChIKey of N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide?

The InChIKey is MPEDJRFLLGLJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FIN3O5/c20-14-9-12(21)3-6-15(14)22-16(26)10-24-18(27)17(23-19(24)28)11-1-4-13(5-2-11)29-8-7-25/h1-6,9,25,27H,7-8,10H2,(H,22,26)(H,23,28).

What are the key properties of N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide?

N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide has a molecular weight of 513.26 g/mol, XLogP of 2.30, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-[4-(2-hydroxyethoxy)phenyl]-2-oxo-1H-imidazol-3-yl]acetamide is sourced from PubChem (CID 91554902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).