1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone

C13H12N2O2 — CID 43162766

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)C1Cc2ccccc2O1
InChIInChI=1S/C13H12N2O2/c16-10(8-13-14-5-6-15-13)12-7-9-3-1-2-4-11(9)17-12/h1-6,12H,7-8H2,(H,14,15)
InChIKeyFCCRUUFWXIQQNW-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.52
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone

1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone (PubChem CID 43162766) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone
PubChem CID43162766
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)C1Cc2ccccc2O1
InChIInChI=1S/C13H12N2O2/c16-10(8-13-14-5-6-15-13)12-7-9-3-1-2-4-11(9)17-12/h1-6,12H,7-8H2,(H,14,15)
InChIKeyFCCRUUFWXIQQNW-UHFFFAOYSA-N
XLogP1.52
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1H-imidazol-2-yl)ethanone
CID 43341170
2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296
2-chloro-1-(2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 45080935
N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698834
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 102684830
1-(2,3-dihydro-1-benzofuran-2-yl)hex-4-yn-1-one
CID 104803537
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
(4S)-N-[3-(1H-imidazol-2-yl)propyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97446027
N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 66215662
(2-bromo-3-pyridinyl) 2,3-dihydro-1-benzofuran-2-carboxylate
CID 60581727
N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61350079
N-(2-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63391507

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone (CID 43162766) is 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone is O=C(Cc1ncc[nH]1)C1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone?
The InChIKey is FCCRUUFWXIQQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-10(8-13-14-5-6-15-13)12-7-9-3-1-2-4-11(9)17-12/h1-6,12H,7-8H2,(H,14,15).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone?
1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone has a molecular weight of 228.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 43162766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).