2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one

C11H11BrFN3O — CID 59388173

IUPAC2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one
SMILESCN1C(=O)C(C)(c2cc(Br)ccc2F)N=C1N
InChIInChI=1S/C11H11BrFN3O/c1-11(9(17)16(2)10(14)15-11)7-5-6(12)3-4-8(7)13/h3-5H,1-2H3,(H2,14,15)
InChIKeyMPGOYBNXLWXZMW-UHFFFAOYSA-N
MW300.13 g/mol
LogP1.59
Rot. Bonds1

About 2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one

2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one (PubChem CID 59388173) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one
PubChem CID59388173
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one
SMILESCN1C(=O)C(C)(c2cc(Br)ccc2F)N=C1N
InChIInChI=1S/C11H11BrFN3O/c1-11(9(17)16(2)10(14)15-11)7-5-6(12)3-4-8(7)13/h3-5H,1-2H3,(H2,14,15)
InChIKeyMPGOYBNXLWXZMW-UHFFFAOYSA-N
XLogP1.59
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one?
The IUPAC name of 2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one (CID 59388173) is 2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one?
The canonical SMILES for 2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one is CN1C(=O)C(C)(c2cc(Br)ccc2F)N=C1N.
What is the InChIKey of 2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one?
The InChIKey is MPGOYBNXLWXZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-11(9(17)16(2)10(14)15-11)7-5-6(12)3-4-8(7)13/h3-5H,1-2H3,(H2,14,15).
What are the key properties of 2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one?
2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one has a molecular weight of 300.13 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-bromo-2-fluorophenyl)-3,5-dimethylimidazol-4-one is sourced from PubChem (CID 59388173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).