5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one

C11H11BrFN3O — CID 79968205

IUPAC5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1ccc(F)c(Br)c1
InChIInChI=1S/C11H11BrFN3O/c1-2-16-9(10(14)15-11(16)17)6-3-4-8(13)7(12)5-6/h3-5,9H,2H2,1H3,(H2,14,15,17)
InChIKeyFEBSWWYONWKULN-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.44
Rot. Bonds2

About 5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one

5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one (PubChem CID 79968205) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one
PubChem CID79968205
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1ccc(F)c(Br)c1
InChIInChI=1S/C11H11BrFN3O/c1-2-16-9(10(14)15-11(16)17)6-3-4-8(13)7(12)5-6/h3-5,9H,2H2,1H3,(H2,14,15,17)
InChIKeyFEBSWWYONWKULN-UHFFFAOYSA-N
XLogP2.44
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one (CID 79968205) is 5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one is CCN1C(=O)N=C(N)C1c1ccc(F)c(Br)c1.
What is the InChIKey of 5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one?
The InChIKey is FEBSWWYONWKULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-2-16-9(10(14)15-11(16)17)6-3-4-8(13)7(12)5-6/h3-5,9H,2H2,1H3,(H2,14,15,17).
What are the key properties of 5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one?
5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one has a molecular weight of 300.13 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-bromo-4-fluorophenyl)-3-ethyl-4H-imidazol-2-one is sourced from PubChem (CID 79968205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).