1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone

C13H16N2O2 — CID 115783601

IUPAC1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)c1cc(C)oc1C
InChIInChI=1S/C13H16N2O2/c1-4-15-6-5-14-13(15)8-12(16)11-7-9(2)17-10(11)3/h5-7H,4,8H2,1-3H3
InChIKeyWSRXSYUNSYISKR-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.54
Rot. Bonds4

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

1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone (PubChem CID 115783601) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone
PubChem CID115783601
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1CC(=O)c1cc(C)oc1C
InChIInChI=1S/C13H16N2O2/c1-4-15-6-5-14-13(15)8-12(16)11-7-9(2)17-10(11)3/h5-7H,4,8H2,1-3H3
InChIKeyWSRXSYUNSYISKR-UHFFFAOYSA-N
XLogP2.54
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274194
1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811905
1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 107984553
1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744377
1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783528
2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone
CID 115783583
1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783517
1-(3,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744270
2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065016
2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanone
CID 105115236
1-(3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744909
1-(1-ethylimidazol-2-yl)-3,4-dimethylpentan-2-one
CID 115783502

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone (CID 115783601) is 1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1CC(=O)c1cc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is WSRXSYUNSYISKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-15-6-5-14-13(15)8-12(16)11-7-9(2)17-10(11)3/h5-7H,4,8H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone?
1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 232.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 115783601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).