2-butyl-4,4-diethyl-1H-imidazol-5-one

C11H20N2O — CID 59138170

IUPAC2-butyl-4,4-diethyl-1H-imidazol-5-one
SMILESCCCCC1=NC(CC)(CC)C(=O)N1
InChIInChI=1S/C11H20N2O/c1-4-7-8-9-12-10(14)11(5-2,6-3)13-9/h4-8H2,1-3H3,(H,12,13,14)
InChIKeyLIDKBZBKWGILIY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.26
Rot. Bonds5

About 2-butyl-4,4-diethyl-1H-imidazol-5-one

2-butyl-4,4-diethyl-1H-imidazol-5-one (PubChem CID 59138170) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-butyl-4,4-diethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-butyl-4,4-diethyl-1H-imidazol-5-one
PubChem CID59138170
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-butyl-4,4-diethyl-1H-imidazol-5-one
SMILESCCCCC1=NC(CC)(CC)C(=O)N1
InChIInChI=1S/C11H20N2O/c1-4-7-8-9-12-10(14)11(5-2,6-3)13-9/h4-8H2,1-3H3,(H,12,13,14)
InChIKeyLIDKBZBKWGILIY-UHFFFAOYSA-N
XLogP2.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butyl-4,4-diethyl-1H-imidazol-5-one 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 2-butyl-4,4-diethyl-1H-imidazol-5-one?
The IUPAC name of 2-butyl-4,4-diethyl-1H-imidazol-5-one (CID 59138170) is 2-butyl-4,4-diethyl-1H-imidazol-5-one.
What is the SMILES notation for 2-butyl-4,4-diethyl-1H-imidazol-5-one?
The canonical SMILES for 2-butyl-4,4-diethyl-1H-imidazol-5-one is CCCCC1=NC(CC)(CC)C(=O)N1.
What is the InChIKey of 2-butyl-4,4-diethyl-1H-imidazol-5-one?
The InChIKey is LIDKBZBKWGILIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-7-8-9-12-10(14)11(5-2,6-3)13-9/h4-8H2,1-3H3,(H,12,13,14).
What are the key properties of 2-butyl-4,4-diethyl-1H-imidazol-5-one?
2-butyl-4,4-diethyl-1H-imidazol-5-one has a molecular weight of 196.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,4-diethyl-1H-imidazol-5-one is sourced from PubChem (CID 59138170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).