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

C11H16N2O2 — CID 107976680

IUPAC1-(1-methylimidazol-4-yl)-2-(oxan-4-yl)ethanone
SMILESCn1cnc(C(=O)CC2CCOCC2)c1
InChIInChI=1S/C11H16N2O2/c1-13-7-10(12-8-13)11(14)6-9-2-4-15-5-3-9/h7-9H,2-6H2,1H3
InChIKeyBFFMLAFKIQUFDN-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.42
Rot. Bonds3

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

1-(1-methylimidazol-4-yl)-2-(oxan-4-yl)ethanone (PubChem CID 107976680) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)-2-(oxan-4-yl)ethanone
PubChem CID107976680
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(1-methylimidazol-4-yl)-2-(oxan-4-yl)ethanone
SMILESCn1cnc(C(=O)CC2CCOCC2)c1
InChIInChI=1S/C11H16N2O2/c1-13-7-10(12-8-13)11(14)6-9-2-4-15-5-3-9/h7-9H,2-6H2,1H3
InChIKeyBFFMLAFKIQUFDN-UHFFFAOYSA-N
XLogP1.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-Dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one
CID 15882308
(Z)-3-(dimethylamino)-2-fluoro-1-[3-(oxan-4-yl)imidazol-4-yl]prop-2-en-1-one
CID 57664662
3-(Dimethylamino)-2-fluoro-1-[3-(oxan-4-yl)imidazol-4-yl]prop-2-en-1-one
CID 68974190
(2-Fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone
CID 123935616
6-[Tert-butyl(dimethyl)silyl]oxy-1-(2,3-dimethylimidazol-4-yl)-2-methylhexan-1-one
CID 135059280
1-Methyl-4-(cyclohexylacetyl)imidazole
CID 580096
6,6-Dimethoxy-5,5-dimethyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)hexan-1-one
CID 10859812
1-[1-(Methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one
CID 10988338
Cyclohexyl-(1,2-dimethylimidazol-4-yl)methanone
CID 11830595
Cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone
CID 11624140
2-Methyl-1-(3-methylimidazol-4-yl)propan-1-one
CID 15128992
(E)-3-(dimethylamino)-1-[3-(oxan-4-yl)imidazol-4-yl]prop-2-en-1-one
CID 57664673

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(1-methylimidazol-4-yl)-2-(oxan-4-yl)ethanone (CID 107976680) is 1-(1-methylimidazol-4-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(1-methylimidazol-4-yl)-2-(oxan-4-yl)ethanone is Cn1cnc(C(=O)CC2CCOCC2)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is BFFMLAFKIQUFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-7-10(12-8-13)11(14)6-9-2-4-15-5-3-9/h7-9H,2-6H2,1H3.
What are the key properties of 1-(1-methylimidazol-4-yl)-2-(oxan-4-yl)ethanone?
1-(1-methylimidazol-4-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 107976680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).