2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride

C12H11ClN2O2 — CID 3073599

IUPAC2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride
SMILESCOc1ccc2cc(-c3ncc[nH]3)oc2c1.Cl
InChIInChI=1S/C12H10N2O2.ClH/c1-15-9-3-2-8-6-11(16-10(8)7-9)12-13-4-5-14-12;/h2-7H,1H3,(H,13,14);1H
InChIKeyCLACROOOBBIRQG-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.25
Rot. Bonds2

About 2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride

2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride (PubChem CID 3073599) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride
PubChem CID3073599
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride
SMILESCOc1ccc2cc(-c3ncc[nH]3)oc2c1.Cl
InChIInChI=1S/C12H10N2O2.ClH/c1-15-9-3-2-8-6-11(16-10(8)7-9)12-13-4-5-14-12;/h2-7H,1H3,(H,13,14);1H
InChIKeyCLACROOOBBIRQG-UHFFFAOYSA-N
XLogP3.25
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride?
The IUPAC name of 2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride (CID 3073599) is 2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride is COc1ccc2cc(-c3ncc[nH]3)oc2c1.Cl.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride?
The InChIKey is CLACROOOBBIRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2.ClH/c1-15-9-3-2-8-6-11(16-10(8)7-9)12-13-4-5-14-12;/h2-7H,1H3,(H,13,14);1H.
What are the key properties of 2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride?
2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride has a molecular weight of 250.69 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole;hydrochloride is sourced from PubChem (CID 3073599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).