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

C13H13ClN2O — CID 3073603

IUPAC2-(1-benzofuran-2-yl)-1-ethylimidazole;hydrochloride
SMILESCCn1ccnc1-c1cc2ccccc2o1.Cl
InChIInChI=1S/C13H12N2O.ClH/c1-2-15-8-7-14-13(15)12-9-10-5-3-4-6-11(10)16-12;/h3-9H,2H2,1H3;1H
InChIKeyLKVNFGLGWXRMJE-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.74
Rot. Bonds2

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

2-(1-benzofuran-2-yl)-1-ethylimidazole;hydrochloride (PubChem CID 3073603) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1-ethylimidazole;hydrochloride.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1-ethylimidazole;hydrochloride
PubChem CID3073603
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-(1-benzofuran-2-yl)-1-ethylimidazole;hydrochloride
SMILESCCn1ccnc1-c1cc2ccccc2o1.Cl
InChIInChI=1S/C13H12N2O.ClH/c1-2-15-8-7-14-13(15)12-9-10-5-3-4-6-11(10)16-12;/h3-9H,2H2,1H3;1H
InChIKeyLKVNFGLGWXRMJE-UHFFFAOYSA-N
XLogP3.74
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1-ethylimidazole;hydrochloride?
The IUPAC name of 2-(1-benzofuran-2-yl)-1-ethylimidazole;hydrochloride (CID 3073603) is 2-(1-benzofuran-2-yl)-1-ethylimidazole;hydrochloride.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1-ethylimidazole;hydrochloride?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1-ethylimidazole;hydrochloride is CCn1ccnc1-c1cc2ccccc2o1.Cl.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1-ethylimidazole;hydrochloride?
The InChIKey is LKVNFGLGWXRMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.ClH/c1-2-15-8-7-14-13(15)12-9-10-5-3-4-6-11(10)16-12;/h3-9H,2H2,1H3;1H.
What are the key properties of 2-(1-benzofuran-2-yl)-1-ethylimidazole;hydrochloride?
2-(1-benzofuran-2-yl)-1-ethylimidazole;hydrochloride has a molecular weight of 248.71 g/mol, XLogP of 3.74, 2 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-ethylimidazole;hydrochloride is sourced from PubChem (CID 3073603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).