5-butyl-3-tert-butyl-1H-imidazol-2-one

C11H20N2O — CID 18384686

IUPAC5-butyl-3-tert-butyl-1H-imidazol-2-one
SMILESCCCCc1cn(C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C11H20N2O/c1-5-6-7-9-8-13(10(14)12-9)11(2,3)4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyHWPCKZULJFVAKK-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.27
Rot. Bonds3

About 5-butyl-3-tert-butyl-1H-imidazol-2-one

5-butyl-3-tert-butyl-1H-imidazol-2-one (PubChem CID 18384686) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-butyl-3-tert-butyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-butyl-3-tert-butyl-1H-imidazol-2-one
PubChem CID18384686
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-butyl-3-tert-butyl-1H-imidazol-2-one
SMILESCCCCc1cn(C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C11H20N2O/c1-5-6-7-9-8-13(10(14)12-9)11(2,3)4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyHWPCKZULJFVAKK-UHFFFAOYSA-N
XLogP2.27
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butyl-3-tert-butyl-1H-imidazol-2-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 5-butyl-3-tert-butyl-1H-imidazol-2-one?
The IUPAC name of 5-butyl-3-tert-butyl-1H-imidazol-2-one (CID 18384686) is 5-butyl-3-tert-butyl-1H-imidazol-2-one.
What is the SMILES notation for 5-butyl-3-tert-butyl-1H-imidazol-2-one?
The canonical SMILES for 5-butyl-3-tert-butyl-1H-imidazol-2-one is CCCCc1cn(C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 5-butyl-3-tert-butyl-1H-imidazol-2-one?
The InChIKey is HWPCKZULJFVAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-6-7-9-8-13(10(14)12-9)11(2,3)4/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 5-butyl-3-tert-butyl-1H-imidazol-2-one?
5-butyl-3-tert-butyl-1H-imidazol-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-tert-butyl-1H-imidazol-2-one is sourced from PubChem (CID 18384686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).