2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride

C14H17ClN2O — CID 53446844

IUPAC2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride
SMILESCCc1oc2ccccc2c1CC1=NCC[NH2+]1.[Cl-]
InChIInChI=1S/C14H16N2O.ClH/c1-2-12-11(9-14-15-7-8-16-14)10-5-3-4-6-13(10)17-12;/h3-6H,2,7-9H2,1H3,(H,15,16);1H
InChIKeyYDDYHDKRIBOHOT-UHFFFAOYSA-N
MW264.76 g/mol
LogP-1.48
Rot. Bonds3

About 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride

2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride (PubChem CID 53446844) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride
PubChem CID53446844
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride
SMILESCCc1oc2ccccc2c1CC1=NCC[NH2+]1.[Cl-]
InChIInChI=1S/C14H16N2O.ClH/c1-2-12-11(9-14-15-7-8-16-14)10-5-3-4-6-13(10)17-12;/h3-6H,2,7-9H2,1H3,(H,15,16);1H
InChIKeyYDDYHDKRIBOHOT-UHFFFAOYSA-N
XLogP-1.48
TPSA42.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride?
The IUPAC name of 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride (CID 53446844) is 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride.
What is the SMILES notation for 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride?
The canonical SMILES for 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride is CCc1oc2ccccc2c1CC1=NCC[NH2+]1.[Cl-].
What is the InChIKey of 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride?
The InChIKey is YDDYHDKRIBOHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.ClH/c1-2-12-11(9-14-15-7-8-16-14)10-5-3-4-6-13(10)17-12;/h3-6H,2,7-9H2,1H3,(H,15,16);1H.
What are the key properties of 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride?
2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride has a molecular weight of 264.76 g/mol, XLogP of -1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride is sourced from PubChem (CID 53446844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).