1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone

C9H8N2O2 — CID 43463676

IUPAC1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1ccoc1
InChIInChI=1S/C9H8N2O2/c12-8(7-1-4-13-6-7)5-9-10-2-3-11-9/h1-4,6H,5H2,(H,10,11)
InChIKeyCNWTUUMTIRHTJB-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.43
Rot. Bonds3

About 1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone

1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone (PubChem CID 43463676) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone
PubChem CID43463676
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1ccoc1
InChIInChI=1S/C9H8N2O2/c12-8(7-1-4-13-6-7)5-9-10-2-3-11-9/h1-4,6H,5H2,(H,10,11)
InChIKeyCNWTUUMTIRHTJB-UHFFFAOYSA-N
XLogP1.43
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone (CID 43463676) is 1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone is O=C(Cc1ncc[nH]1)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone?
The InChIKey is CNWTUUMTIRHTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-8(7-1-4-13-6-7)5-9-10-2-3-11-9/h1-4,6H,5H2,(H,10,11).
What are the key properties of 1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone?
1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone has a molecular weight of 176.18 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-(1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 43463676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).