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

C14H16N2O — CID 45095668

IUPAC2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESCCc1c(CC2=NCCN2)oc2ccccc12
InChIInChI=1S/C14H16N2O/c1-2-10-11-5-3-4-6-12(11)17-13(10)9-14-15-7-8-16-14/h3-6H,2,7-9H2,1H3,(H,15,16)
InChIKeyKFVOSTKKDLSXAQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.54
Rot. Bonds3

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

2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 45095668) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID45095668
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESCCc1c(CC2=NCCN2)oc2ccccc12
InChIInChI=1S/C14H16N2O/c1-2-10-11-5-3-4-6-12(11)17-13(10)9-14-15-7-8-16-14/h3-6H,2,7-9H2,1H3,(H,15,16)
InChIKeyKFVOSTKKDLSXAQ-UHFFFAOYSA-N
XLogP2.54
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium
CID 86294947
2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-1-ium chloride
CID 53446844
2-[(2-ethyl-6-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 24781717
3,4-diethylchromen-2-one
CID 11680028
2-benzyl-4,5-dihydro-1H-imidazole;hydrate
CID 174926458
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)naphthalen-2-ol;hydrochloride
CID 66855717
N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
CID 78826569
2-[(3-chloro-2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole;2-[(3-chloro-2-ethyl-6-fluorophenyl)methyl]-4,5-dihydro-1H-imidazole
CID 69119976
2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 22493434
N-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-ethylphenyl]methanesulfonamide
CID 54251607
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-ethylindole;hydrochloride
CID 138398633
N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine
CID 63964995

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole (CID 45095668) is 2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole is CCc1c(CC2=NCCN2)oc2ccccc12.
What is the InChIKey of 2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is KFVOSTKKDLSXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-10-11-5-3-4-6-12(11)17-13(10)9-14-15-7-8-16-14/h3-6H,2,7-9H2,1H3,(H,15,16).
What are the key properties of 2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole?
2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 228.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 45095668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).