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

C13H15BrFN3O — CID 79959896

IUPAC5-amino-4-(3-bromo-4-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1c1ccc(F)c(Br)c1
InChIInChI=1S/C13H15BrFN3O/c1-7(2)6-18-11(12(16)17-13(18)19)8-3-4-10(15)9(14)5-8/h3-5,7,11H,6H2,1-2H3,(H2,16,17,19)
InChIKeyIGJNZZMHVKFDGE-UHFFFAOYSA-N
MW328.19 g/mol
LogP3.08
Rot. Bonds3

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

5-amino-4-(3-bromo-4-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one (PubChem CID 79959896) has the molecular formula C13H15BrFN3O and a molecular weight of 328.19 g/mol. Its IUPAC name is 5-amino-4-(3-bromo-4-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-bromo-4-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
PubChem CID79959896
Molecular FormulaC13H15BrFN3O
Molecular Weight328.19 g/mol
Exact Mass327.04
IUPAC Name5-amino-4-(3-bromo-4-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1c1ccc(F)c(Br)c1
InChIInChI=1S/C13H15BrFN3O/c1-7(2)6-18-11(12(16)17-13(18)19)8-3-4-10(15)9(14)5-8/h3-5,7,11H,6H2,1-2H3,(H2,16,17,19)
InChIKeyIGJNZZMHVKFDGE-UHFFFAOYSA-N
XLogP3.08
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 53.08
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-(2-methylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-bromo-4-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one (CID 79959896) is 5-amino-4-(3-bromo-4-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-bromo-4-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-bromo-4-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one is CC(C)CN1C(=O)N=C(N)C1c1ccc(F)c(Br)c1.
What is the InChIKey of 5-amino-4-(3-bromo-4-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The InChIKey is IGJNZZMHVKFDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3O/c1-7(2)6-18-11(12(16)17-13(18)19)8-3-4-10(15)9(14)5-8/h3-5,7,11H,6H2,1-2H3,(H2,16,17,19).
What are the key properties of 5-amino-4-(3-bromo-4-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
5-amino-4-(3-bromo-4-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one has a molecular weight of 328.19 g/mol, XLogP of 3.08, 3 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-(2-methylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 79959896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).