2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride

C12H11ClN2O — CID 3073597

IUPAC2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride
SMILESCl.Cn1ccnc1-c1cc2ccccc2o1
InChIInChI=1S/C12H10N2O.ClH/c1-14-7-6-13-12(14)11-8-9-4-2-3-5-10(9)15-11;/h2-8H,1H3;1H
InChIKeyWODFHPSXUIWNJZ-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.26
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride

2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride (PubChem CID 3073597) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride
PubChem CID3073597
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride
SMILESCl.Cn1ccnc1-c1cc2ccccc2o1
InChIInChI=1S/C12H10N2O.ClH/c1-14-7-6-13-12(14)11-8-9-4-2-3-5-10(9)15-11;/h2-8H,1H3;1H
InChIKeyWODFHPSXUIWNJZ-UHFFFAOYSA-N
XLogP3.26
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazole, 2-(2-benzofuranyl)-, monohydrochloride
CID 3073595
5-Benzofuranol, 2-(1H-imidazol-2-yl)-, monohydrochloride
CID 3073609
1H-Imidazole, 1-ethyl-2-(6-methoxy-2-benzofuranyl)-, monohydrochloride
CID 3073611
2-(1-benzofuran-2-yl)-1H-imidazole
CID 3073596
1H-Imidazole, 2-(6-methoxy-2-benzofuranyl)-, monohydrochloride
CID 3073599
1H-Imidazole, 2-(2-benofuranyl)-1-ethyl-, monohydrochloride
CID 3073603
1H-Imidazole, 2-(5-bromo-2-benzofuranyl)-, monohydrochloride
CID 3073605
1H-Imidazole, 2-(5-methoxy-2-benzofuranyl)-, monohydrochloride
CID 3073607
1-(benzofuran-2-yl(4-chlorophenyl)methyl)-1H-imidazole
CID 9972577
6-Benzofuranol, 2-(1H-imidazol-2-yl)-, monohydrochloride
CID 3073601
Benzofuran-2-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 2952642
N-[3-(1H-imidazol-1-yl)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 3146651

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride?
The IUPAC name of 2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride (CID 3073597) is 2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride is Cl.Cn1ccnc1-c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride?
The InChIKey is WODFHPSXUIWNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O.ClH/c1-14-7-6-13-12(14)11-8-9-4-2-3-5-10(9)15-11;/h2-8H,1H3;1H.
What are the key properties of 2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride?
2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride has a molecular weight of 234.69 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1-methylimidazole;hydrochloride is sourced from PubChem (CID 3073597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).