1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one

C13H16N2O2 — CID 115811905

IUPAC1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCc1cc(C(=O)CCc2nccn2C)c(C)o1
InChIInChI=1S/C13H16N2O2/c1-9-8-11(10(2)17-9)12(16)4-5-13-14-6-7-15(13)3/h6-8H,4-5H2,1-3H3
InChIKeyYVDNXPFWJPRIDC-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.45
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one

1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 115811905) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
PubChem CID115811905
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCc1cc(C(=O)CCc2nccn2C)c(C)o1
InChIInChI=1S/C13H16N2O2/c1-9-8-11(10(2)17-9)12(16)4-5-13-14-6-7-15(13)3/h6-8H,4-5H2,1-3H3
InChIKeyYVDNXPFWJPRIDC-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529651
3-(1-methylimidazol-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 115811872
1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 105133820
1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783601
1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529457
1-(5-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811684
3-(1-methylimidazol-2-yl)-1-naphthalen-1-ylpropan-1-one
CID 114529474
1-(4,5-dimethylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811807
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529476
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533179
2-methyl-5-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103251738

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one (CID 115811905) is 1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one is Cc1cc(C(=O)CCc2nccn2C)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is YVDNXPFWJPRIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-8-11(10(2)17-9)12(16)4-5-13-14-6-7-15(13)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one?
1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 232.28 g/mol, XLogP of 2.45, 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)-3-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 115811905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).