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

C12H13BrFN3O — CID 79967298

IUPAC5-amino-4-(3-bromo-4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCC(C)N1C(=O)N=C(N)C1c1ccc(F)c(Br)c1
InChIInChI=1S/C12H13BrFN3O/c1-6(2)17-10(11(15)16-12(17)18)7-3-4-9(14)8(13)5-7/h3-6,10H,1-2H3,(H2,15,16,18)
InChIKeyVHBLSCFZLWFKJE-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.83
Rot. Bonds2

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

5-amino-4-(3-bromo-4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one (PubChem CID 79967298) has the molecular formula C12H13BrFN3O and a molecular weight of 314.16 g/mol. Its IUPAC name is 5-amino-4-(3-bromo-4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-bromo-4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one
PubChem CID79967298
Molecular FormulaC12H13BrFN3O
Molecular Weight314.16 g/mol
Exact Mass313.02
IUPAC Name5-amino-4-(3-bromo-4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCC(C)N1C(=O)N=C(N)C1c1ccc(F)c(Br)c1
InChIInChI=1S/C12H13BrFN3O/c1-6(2)17-10(11(15)16-12(17)18)7-3-4-9(14)8(13)5-7/h3-6,10H,1-2H3,(H2,15,16,18)
InChIKeyVHBLSCFZLWFKJE-UHFFFAOYSA-N
XLogP2.83
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.83
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-propan-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-bromo-4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one (CID 79967298) is 5-amino-4-(3-bromo-4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-bromo-4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-bromo-4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one is CC(C)N1C(=O)N=C(N)C1c1ccc(F)c(Br)c1.
What is the InChIKey of 5-amino-4-(3-bromo-4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one?
The InChIKey is VHBLSCFZLWFKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3O/c1-6(2)17-10(11(15)16-12(17)18)7-3-4-9(14)8(13)5-7/h3-6,10H,1-2H3,(H2,15,16,18).
What are the key properties of 5-amino-4-(3-bromo-4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one?
5-amino-4-(3-bromo-4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one has a molecular weight of 314.16 g/mol, XLogP of 2.83, 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-propan-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 79967298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).