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

C11H9ClN2O — CID 3073595

IUPAC2-(1-benzofuran-2-yl)-1H-imidazole;hydrochloride
SMILESCl.c1ccc2oc(-c3ncc[nH]3)cc2c1
InChIInChI=1S/C11H8N2O.ClH/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11;/h1-7H,(H,12,13);1H
InChIKeyRWPPGXMIQFYPRL-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.24
Rot. Bonds1

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

2-(1-benzofuran-2-yl)-1H-imidazole;hydrochloride (PubChem CID 3073595) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1H-imidazole;hydrochloride
PubChem CID3073595
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-(1-benzofuran-2-yl)-1H-imidazole;hydrochloride
SMILESCl.c1ccc2oc(-c3ncc[nH]3)cc2c1
InChIInChI=1S/C11H8N2O.ClH/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11;/h1-7H,(H,12,13);1H
InChIKeyRWPPGXMIQFYPRL-UHFFFAOYSA-N
XLogP3.24
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1H-imidazole;hydrochloride?
The IUPAC name of 2-(1-benzofuran-2-yl)-1H-imidazole;hydrochloride (CID 3073595) is 2-(1-benzofuran-2-yl)-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1H-imidazole;hydrochloride is Cl.c1ccc2oc(-c3ncc[nH]3)cc2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1H-imidazole;hydrochloride?
The InChIKey is RWPPGXMIQFYPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O.ClH/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11;/h1-7H,(H,12,13);1H.
What are the key properties of 2-(1-benzofuran-2-yl)-1H-imidazole;hydrochloride?
2-(1-benzofuran-2-yl)-1H-imidazole;hydrochloride has a molecular weight of 220.66 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1H-imidazole;hydrochloride is sourced from PubChem (CID 3073595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).