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

C12H13BrFN3O — CID 79967208

IUPAC5-amino-4-(5-bromo-2-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCC(C)N1C(=O)N=C(N)C1c1cc(Br)ccc1F
InChIInChI=1S/C12H13BrFN3O/c1-6(2)17-10(11(15)16-12(17)18)8-5-7(13)3-4-9(8)14/h3-6,10H,1-2H3,(H2,15,16,18)
InChIKeySRQVJCMYCLPHPY-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.83
Rot. Bonds2

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

5-amino-4-(5-bromo-2-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one (PubChem CID 79967208) has the molecular formula C12H13BrFN3O and a molecular weight of 314.16 g/mol. Its IUPAC name is 5-amino-4-(5-bromo-2-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(5-bromo-2-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one
PubChem CID79967208
Molecular FormulaC12H13BrFN3O
Molecular Weight314.16 g/mol
Exact Mass313.02
IUPAC Name5-amino-4-(5-bromo-2-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCC(C)N1C(=O)N=C(N)C1c1cc(Br)ccc1F
InChIInChI=1S/C12H13BrFN3O/c1-6(2)17-10(11(15)16-12(17)18)8-5-7(13)3-4-9(8)14/h3-6,10H,1-2H3,(H2,15,16,18)
InChIKeySRQVJCMYCLPHPY-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-(5-bromo-2-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(5-bromo-2-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one (CID 79967208) is 5-amino-4-(5-bromo-2-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(5-bromo-2-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(5-bromo-2-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one is CC(C)N1C(=O)N=C(N)C1c1cc(Br)ccc1F.
What is the InChIKey of 5-amino-4-(5-bromo-2-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one?
The InChIKey is SRQVJCMYCLPHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3O/c1-6(2)17-10(11(15)16-12(17)18)8-5-7(13)3-4-9(8)14/h3-6,10H,1-2H3,(H2,15,16,18).
What are the key properties of 5-amino-4-(5-bromo-2-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one?
5-amino-4-(5-bromo-2-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-(5-bromo-2-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 79967208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).