2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride

C11H8BrClN2O — CID 3073605

IUPAC2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride
SMILESBrc1ccc2oc(-c3ncc[nH]3)cc2c1.Cl
InChIInChI=1S/C11H7BrN2O.ClH/c12-8-1-2-9-7(5-8)6-10(15-9)11-13-3-4-14-11;/h1-6H,(H,13,14);1H
InChIKeyGNYDFJVZQRHJEY-UHFFFAOYSA-N
MW299.56 g/mol
LogP4.01
Rot. Bonds1

About 2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride

2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride (PubChem CID 3073605) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride
PubChem CID3073605
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride
SMILESBrc1ccc2oc(-c3ncc[nH]3)cc2c1.Cl
InChIInChI=1S/C11H7BrN2O.ClH/c12-8-1-2-9-7(5-8)6-10(15-9)11-13-3-4-14-11;/h1-6H,(H,13,14);1H
InChIKeyGNYDFJVZQRHJEY-UHFFFAOYSA-N
XLogP4.01
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride?
The IUPAC name of 2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride (CID 3073605) is 2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride is Brc1ccc2oc(-c3ncc[nH]3)cc2c1.Cl.
What is the InChIKey of 2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride?
The InChIKey is GNYDFJVZQRHJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O.ClH/c12-8-1-2-9-7(5-8)6-10(15-9)11-13-3-4-14-11;/h1-6H,(H,13,14);1H.
What are the key properties of 2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride?
2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride has a molecular weight of 299.56 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-benzofuran-2-yl)-1H-imidazole;hydrochloride is sourced from PubChem (CID 3073605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).