1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone

C11H16N2O — CID 131025389

IUPAC1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone
SMILESCc1ncn(CC(=O)C2CCC2)c1C
InChIInChI=1S/C11H16N2O/c1-8-9(2)13(7-12-8)6-11(14)10-4-3-5-10/h7,10H,3-6H2,1-2H3
InChIKeyIXAXHCTZKNQCID-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.87
Rot. Bonds3

About 1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone

1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone (PubChem CID 131025389) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone
PubChem CID131025389
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone
SMILESCc1ncn(CC(=O)C2CCC2)c1C
InChIInChI=1S/C11H16N2O/c1-8-9(2)13(7-12-8)6-11(14)10-4-3-5-10/h7,10H,3-6H2,1-2H3
InChIKeyIXAXHCTZKNQCID-UHFFFAOYSA-N
XLogP1.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone?
The IUPAC name of 1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone (CID 131025389) is 1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone is Cc1ncn(CC(=O)C2CCC2)c1C.
What is the InChIKey of 1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone?
The InChIKey is IXAXHCTZKNQCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-9(2)13(7-12-8)6-11(14)10-4-3-5-10/h7,10H,3-6H2,1-2H3.
What are the key properties of 1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone?
1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone has a molecular weight of 192.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone is sourced from PubChem (CID 131025389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).