2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone

C12H14N2O2 — CID 65151440

IUPAC2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
SMILESCc1oc(C)c(C(=O)Cc2ncc[nH]2)c1C
InChIInChI=1S/C12H14N2O2/c1-7-8(2)16-9(3)12(7)10(15)6-11-13-4-5-14-11/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyDSUXVSHTMPEKFE-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.35
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone

2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone (PubChem CID 65151440) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
PubChem CID65151440
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
SMILESCc1oc(C)c(C(=O)Cc2ncc[nH]2)c1C
InChIInChI=1S/C12H14N2O2/c1-7-8(2)16-9(3)12(7)10(15)6-11-13-4-5-14-11/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyDSUXVSHTMPEKFE-UHFFFAOYSA-N
XLogP2.35
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone (CID 65151440) is 2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone is Cc1oc(C)c(C(=O)Cc2ncc[nH]2)c1C.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone?
The InChIKey is DSUXVSHTMPEKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-8(2)16-9(3)12(7)10(15)6-11-13-4-5-14-11/h4-5H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone?
2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone has a molecular weight of 218.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone is sourced from PubChem (CID 65151440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).