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

C14H17N2O+ — CID 86294947

IUPAC2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium
SMILESCCc1oc2ccccc2c1CC1=[NH+]CCN1
InChIInChI=1S/C14H16N2O/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)/p+1
InChIKeyQZRIKRJFJVVUSF-UHFFFAOYSA-O
MW229.30 g/mol
LogP0.62
Rot. Bonds3

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

2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium (PubChem CID 86294947) has the molecular formula C14H17N2O+ and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium.

Molecular Properties

Compound Name2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium
PubChem CID86294947
Molecular FormulaC14H17N2O+
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium
SMILESCCc1oc2ccccc2c1CC1=[NH+]CCN1
InChIInChI=1S/C14H16N2O/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)/p+1
InChIKeyQZRIKRJFJVVUSF-UHFFFAOYSA-O
XLogP0.62
TPSA39.14 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole
CID 45095668
2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride
CID 53446844
2-ethyl-3-pentyl-1-benzofuran
CID 70503240
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485353
[1-[(2-ethyl-1-benzofuran-3-yl)methylamino]cyclopentyl]methanol
CID 62523800
N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
CID 43226088
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61223383
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906699
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium?
The IUPAC name of 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium (CID 86294947) is 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium.
What is the SMILES notation for 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium?
The canonical SMILES for 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium is CCc1oc2ccccc2c1CC1=[NH+]CCN1.
What is the InChIKey of 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium?
The InChIKey is QZRIKRJFJVVUSF-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H16N2O/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)/p+1.
What are the key properties of 2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium?
2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium has a molecular weight of 229.30 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 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-3-ium is sourced from PubChem (CID 86294947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).