1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one

C18H15BrClFN2O3 — CID 166167297

IUPAC1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one
SMILESCOCOc1c(Br)cc(F)cc1-c1ccc(-n2ccn(C)c2=O)c(Cl)c1
InChIInChI=1S/C18H15BrClFN2O3/c1-22-5-6-23(18(22)24)16-4-3-11(7-15(16)20)13-8-12(21)9-14(19)17(13)26-10-25-2/h3-9H,10H2,1-2H3
InChIKeyJSHYFLGOWKPTJL-UHFFFAOYSA-N
MW441.68 g/mol
LogP4.38
Rot. Bonds5

About 1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one

1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one (PubChem CID 166167297) has the molecular formula C18H15BrClFN2O3 and a molecular weight of 441.68 g/mol. Its IUPAC name is 1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one
PubChem CID166167297
Molecular FormulaC18H15BrClFN2O3
Molecular Weight441.68 g/mol
Exact Mass439.99
IUPAC Name1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one
SMILESCOCOc1c(Br)cc(F)cc1-c1ccc(-n2ccn(C)c2=O)c(Cl)c1
InChIInChI=1S/C18H15BrClFN2O3/c1-22-5-6-23(18(22)24)16-4-3-11(7-15(16)20)13-8-12(21)9-14(19)17(13)26-10-25-2/h3-9H,10H2,1-2H3
InChIKeyJSHYFLGOWKPTJL-UHFFFAOYSA-N
XLogP4.38
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.68
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one (CID 166167297) is 1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one is COCOc1c(Br)cc(F)cc1-c1ccc(-n2ccn(C)c2=O)c(Cl)c1.
What is the InChIKey of 1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one?
The InChIKey is JSHYFLGOWKPTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClFN2O3/c1-22-5-6-23(18(22)24)16-4-3-11(7-15(16)20)13-8-12(21)9-14(19)17(13)26-10-25-2/h3-9H,10H2,1-2H3.
What are the key properties of 1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one?
1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one has a molecular weight of 441.68 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-bromo-5-fluoro-2-(methoxymethoxy)phenyl]-2-chlorophenyl]-3-methylimidazol-2-one is sourced from PubChem (CID 166167297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).