2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one

C17H14F3N3O2 — CID 78321279

IUPAC2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one
SMILESCOc1ccc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2=O)cc1F
InChIInChI=1S/C17H14F3N3O2/c1-23-15(24)17(22-16(23)21,10-5-11(18)8-12(19)6-10)9-3-4-14(25-2)13(20)7-9/h3-8H,1-2H3,(H2,21,22)
InChIKeyAWPYNJLKPURHEF-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.14
Rot. Bonds3

About 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one

2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one (PubChem CID 78321279) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one
PubChem CID78321279
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one
SMILESCOc1ccc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2=O)cc1F
InChIInChI=1S/C17H14F3N3O2/c1-23-15(24)17(22-16(23)21,10-5-11(18)8-12(19)6-10)9-3-4-14(25-2)13(20)7-9/h3-8H,1-2H3,(H2,21,22)
InChIKeyAWPYNJLKPURHEF-UHFFFAOYSA-N
XLogP2.14
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one (CID 78321279) is 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one is COc1ccc(C2(c3cc(F)cc(F)c3)N=C(N)N(C)C2=O)cc1F.
What is the InChIKey of 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one?
The InChIKey is AWPYNJLKPURHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-23-15(24)17(22-16(23)21,10-5-11(18)8-12(19)6-10)9-3-4-14(25-2)13(20)7-9/h3-8H,1-2H3,(H2,21,22).
What are the key properties of 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one?
2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one has a molecular weight of 349.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,5-difluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 78321279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).