1-(3-ethyl-2-propylimidazol-4-yl)ethanone

C10H16N2O — CID 68686772

IUPAC1-(3-ethyl-2-propylimidazol-4-yl)ethanone
SMILESCCCc1ncc(C(C)=O)n1CC
InChIInChI=1S/C10H16N2O/c1-4-6-10-11-7-9(8(3)13)12(10)5-2/h7H,4-6H2,1-3H3
InChIKeyYQKKZEYIBMITOF-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.06
Rot. Bonds4

About 1-(3-ethyl-2-propylimidazol-4-yl)ethanone

1-(3-ethyl-2-propylimidazol-4-yl)ethanone (PubChem CID 68686772) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(3-ethyl-2-propylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-2-propylimidazol-4-yl)ethanone
PubChem CID68686772
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(3-ethyl-2-propylimidazol-4-yl)ethanone
SMILESCCCc1ncc(C(C)=O)n1CC
InChIInChI=1S/C10H16N2O/c1-4-6-10-11-7-9(8(3)13)12(10)5-2/h7H,4-6H2,1-3H3
InChIKeyYQKKZEYIBMITOF-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethyl-2-propylimidazol-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-propylimidazol-4-yl)ethanone?
The IUPAC name of 1-(3-ethyl-2-propylimidazol-4-yl)ethanone (CID 68686772) is 1-(3-ethyl-2-propylimidazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-ethyl-2-propylimidazol-4-yl)ethanone?
The canonical SMILES for 1-(3-ethyl-2-propylimidazol-4-yl)ethanone is CCCc1ncc(C(C)=O)n1CC.
What is the InChIKey of 1-(3-ethyl-2-propylimidazol-4-yl)ethanone?
The InChIKey is YQKKZEYIBMITOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-6-10-11-7-9(8(3)13)12(10)5-2/h7H,4-6H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-propylimidazol-4-yl)ethanone?
1-(3-ethyl-2-propylimidazol-4-yl)ethanone has a molecular weight of 180.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-propylimidazol-4-yl)ethanone is sourced from PubChem (CID 68686772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).