5-bromo-3-ethyl-1H-imidazol-2-one

C5H7BrN2O — CID 117190004

IUPAC5-bromo-3-ethyl-1H-imidazol-2-one
SMILESCCn1cc(Br)[nH]c1=O
InChIInChI=1S/C5H7BrN2O/c1-2-8-3-4(6)7-5(8)9/h3H,2H2,1H3,(H,7,9)
InChIKeyAFYAIXALCUDTQK-UHFFFAOYSA-N
MW191.03 g/mol
LogP0.96
Rot. Bonds1

About 5-bromo-3-ethyl-1H-imidazol-2-one

5-bromo-3-ethyl-1H-imidazol-2-one (PubChem CID 117190004) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is 5-bromo-3-ethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-bromo-3-ethyl-1H-imidazol-2-one
PubChem CID117190004
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name5-bromo-3-ethyl-1H-imidazol-2-one
SMILESCCn1cc(Br)[nH]c1=O
InChIInChI=1S/C5H7BrN2O/c1-2-8-3-4(6)7-5(8)9/h3H,2H2,1H3,(H,7,9)
InChIKeyAFYAIXALCUDTQK-UHFFFAOYSA-N
XLogP0.96
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-bromo-1-octylpyrimidine-2,4-dione
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5-bromo-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 64566764
1-(2-ethoxyethyl)-5-ethylpyrimidine-2,4-dione
CID 66330926
5-bromo-1-(4-oxohexyl)pyrimidine-2,4-dione
CID 106801777
2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetaldehyde
CID 63776711
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CID 68853897

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-1H-imidazol-2-one?
The IUPAC name of 5-bromo-3-ethyl-1H-imidazol-2-one (CID 117190004) is 5-bromo-3-ethyl-1H-imidazol-2-one.
What is the SMILES notation for 5-bromo-3-ethyl-1H-imidazol-2-one?
The canonical SMILES for 5-bromo-3-ethyl-1H-imidazol-2-one is CCn1cc(Br)[nH]c1=O.
What is the InChIKey of 5-bromo-3-ethyl-1H-imidazol-2-one?
The InChIKey is AFYAIXALCUDTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c1-2-8-3-4(6)7-5(8)9/h3H,2H2,1H3,(H,7,9).
What are the key properties of 5-bromo-3-ethyl-1H-imidazol-2-one?
5-bromo-3-ethyl-1H-imidazol-2-one has a molecular weight of 191.03 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-1H-imidazol-2-one is sourced from PubChem (CID 117190004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).