1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone

C11H12N2O2 — CID 43463671

IUPAC1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2ncc[nH]2)c(C)o1
InChIInChI=1S/C11H12N2O2/c1-7-5-9(8(2)15-7)10(14)6-11-12-3-4-13-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyMESYXOPPSNVLBA-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.04
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone

1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone (PubChem CID 43463671) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone
PubChem CID43463671
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2ncc[nH]2)c(C)o1
InChIInChI=1S/C11H12N2O2/c1-7-5-9(8(2)15-7)10(14)6-11-12-3-4-13-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyMESYXOPPSNVLBA-UHFFFAOYSA-N
XLogP2.04
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone (CID 43463671) is 1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone is Cc1cc(C(=O)Cc2ncc[nH]2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone?
The InChIKey is MESYXOPPSNVLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-5-9(8(2)15-7)10(14)6-11-12-3-4-13-11/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone?
1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone has a molecular weight of 204.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-(1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 43463671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).