8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one

C15H8F2IN3O2 — CID 59519424

IUPAC8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one
SMILESCc1noc2c(F)c3c(cc12)[nH]c(=O)n3-c1ccc(I)cc1F
InChIInChI=1S/C15H8F2IN3O2/c1-6-8-5-10-13(12(17)14(8)23-20-6)21(15(22)19-10)11-3-2-7(18)4-9(11)16/h2-5H,1H3,(H,19,22)
InChIKeyKXPMPAFZBKYIAF-UHFFFAOYSA-N
MW427.15 g/mol
LogP3.65
Rot. Bonds1

About 8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one

8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one (PubChem CID 59519424) has the molecular formula C15H8F2IN3O2 and a molecular weight of 427.15 g/mol. Its IUPAC name is 8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one.

Molecular Properties

Compound Name8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one
PubChem CID59519424
Molecular FormulaC15H8F2IN3O2
Molecular Weight427.15 g/mol
Exact Mass426.96
IUPAC Name8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one
SMILESCc1noc2c(F)c3c(cc12)[nH]c(=O)n3-c1ccc(I)cc1F
InChIInChI=1S/C15H8F2IN3O2/c1-6-8-5-10-13(12(17)14(8)23-20-6)21(15(22)19-10)11-3-2-7(18)4-9(11)16/h2-5H,1H3,(H,19,22)
InChIKeyKXPMPAFZBKYIAF-UHFFFAOYSA-N
XLogP3.65
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.15
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one?
The IUPAC name of 8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one (CID 59519424) is 8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one.
What is the SMILES notation for 8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one?
The canonical SMILES for 8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one is Cc1noc2c(F)c3c(cc12)[nH]c(=O)n3-c1ccc(I)cc1F.
What is the InChIKey of 8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one?
The InChIKey is KXPMPAFZBKYIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2IN3O2/c1-6-8-5-10-13(12(17)14(8)23-20-6)21(15(22)19-10)11-3-2-7(18)4-9(11)16/h2-5H,1H3,(H,19,22).
What are the key properties of 8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one?
8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one has a molecular weight of 427.15 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-(2-fluoro-4-iodophenyl)-3-methyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one is sourced from PubChem (CID 59519424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).