2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone

C10H10N2O2 — CID 107977307

IUPAC2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone
SMILESCn1cnc(C(=O)Cc2ccco2)c1
InChIInChI=1S/C10H10N2O2/c1-12-6-9(11-7-12)10(13)5-8-3-2-4-14-8/h2-4,6-7H,5H2,1H3
InChIKeyUJTYMOKYWLSVBT-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.44
Rot. Bonds3

About 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone

2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone (PubChem CID 107977307) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone
PubChem CID107977307
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone
SMILESCn1cnc(C(=O)Cc2ccco2)c1
InChIInChI=1S/C10H10N2O2/c1-12-6-9(11-7-12)10(13)5-8-3-2-4-14-8/h2-4,6-7H,5H2,1H3
InChIKeyUJTYMOKYWLSVBT-UHFFFAOYSA-N
XLogP1.44
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone
CID 102949979
1-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)propane-1,3-dione
CID 107972606
2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107977095
2-(furan-2-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 115795536
1-(4-fluorophenyl)-2-(furan-2-yl)ethanone
CID 83172698
1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone
CID 83172219
1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone
CID 114329742
2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 107977055
3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one
CID 105101081
1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone
CID 115795642
1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone
CID 116548254

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone?
The IUPAC name of 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone (CID 107977307) is 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone.
What is the SMILES notation for 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone?
The canonical SMILES for 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone is Cn1cnc(C(=O)Cc2ccco2)c1.
What is the InChIKey of 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone?
The InChIKey is UJTYMOKYWLSVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-12-6-9(11-7-12)10(13)5-8-3-2-4-14-8/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone?
2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone has a molecular weight of 190.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone is sourced from PubChem (CID 107977307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).