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

C13H14N2O — CID 65446900

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole
SMILESc1cn(CCc2ccc3c(c2)CCO3)cn1
InChIInChI=1S/C13H14N2O/c1-2-13-12(4-8-16-13)9-11(1)3-6-15-7-5-14-10-15/h1-2,5,7,9-10H,3-4,6,8H2
InChIKeyHOJZOYBUMNHULO-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.06
Rot. Bonds3

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

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole (PubChem CID 65446900) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole
PubChem CID65446900
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole
SMILESc1cn(CCc2ccc3c(c2)CCO3)cn1
InChIInChI=1S/C13H14N2O/c1-2-13-12(4-8-16-13)9-11(1)3-6-15-7-5-14-10-15/h1-2,5,7,9-10H,3-4,6,8H2
InChIKeyHOJZOYBUMNHULO-UHFFFAOYSA-N
XLogP2.06
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-2-yl]methyl]imidazole
CID 91661955
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51072939
1-[2-(9H-fluoren-2-yl)ethyl]imidazole;hydrochloride
CID 67640452
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrazol-3-yl]methanamine
CID 65447276
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5,6-dimethylpyrimidin-4-one
CID 146130232
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodo-4-methylpyrazole
CID 79787089
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]triazol-4-yl]methanamine
CID 65446119
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole
CID 86792227
5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one
CID 66311095
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-diethyl-4-iodopyrazole
CID 82692224
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole (CID 65446900) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole is c1cn(CCc2ccc3c(c2)CCO3)cn1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole?
The InChIKey is HOJZOYBUMNHULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-13-12(4-8-16-13)9-11(1)3-6-15-7-5-14-10-15/h1-2,5,7,9-10H,3-4,6,8H2.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole has a molecular weight of 214.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole is sourced from PubChem (CID 65446900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).