1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone

C9H7BrN2O2 — CID 43463682

IUPAC1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1ccc(Br)o1
InChIInChI=1S/C9H7BrN2O2/c10-8-2-1-7(14-8)6(13)5-9-11-3-4-12-9/h1-4H,5H2,(H,11,12)
InChIKeyVUQLVTBTQJFKNO-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.19
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone

1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone (PubChem CID 43463682) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone
PubChem CID43463682
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1ccc(Br)o1
InChIInChI=1S/C9H7BrN2O2/c10-8-2-1-7(14-8)6(13)5-9-11-3-4-12-9/h1-4H,5H2,(H,11,12)
InChIKeyVUQLVTBTQJFKNO-UHFFFAOYSA-N
XLogP2.19
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone (CID 43463682) is 1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone is O=C(Cc1ncc[nH]1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone?
The InChIKey is VUQLVTBTQJFKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c10-8-2-1-7(14-8)6(13)5-9-11-3-4-12-9/h1-4H,5H2,(H,11,12).
What are the key properties of 1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone?
1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone has a molecular weight of 255.07 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 43463682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).