5-tert-butyl-1-ethylimidazolidin-2-one

C9H18N2O — CID 146188029

IUPAC5-tert-butyl-1-ethylimidazolidin-2-one
SMILESCCN1C(=O)NCC1C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-5-11-7(9(2,3)4)6-10-8(11)12/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyHJUBOLZAIWVFPF-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.45
Rot. Bonds1

About 5-tert-butyl-1-ethylimidazolidin-2-one

5-tert-butyl-1-ethylimidazolidin-2-one (PubChem CID 146188029) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-tert-butyl-1-ethylimidazolidin-2-one.

Molecular Properties

Compound Name5-tert-butyl-1-ethylimidazolidin-2-one
PubChem CID146188029
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name5-tert-butyl-1-ethylimidazolidin-2-one
SMILESCCN1C(=O)NCC1C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-5-11-7(9(2,3)4)6-10-8(11)12/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyHJUBOLZAIWVFPF-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-tert-butyl-1-ethylimidazolidin-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-tert-butyl-1-ethylimidazolidin-2-one?
The IUPAC name of 5-tert-butyl-1-ethylimidazolidin-2-one (CID 146188029) is 5-tert-butyl-1-ethylimidazolidin-2-one.
What is the SMILES notation for 5-tert-butyl-1-ethylimidazolidin-2-one?
The canonical SMILES for 5-tert-butyl-1-ethylimidazolidin-2-one is CCN1C(=O)NCC1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-ethylimidazolidin-2-one?
The InChIKey is HJUBOLZAIWVFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-11-7(9(2,3)4)6-10-8(11)12/h7H,5-6H2,1-4H3,(H,10,12).
What are the key properties of 5-tert-butyl-1-ethylimidazolidin-2-one?
5-tert-butyl-1-ethylimidazolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-ethylimidazolidin-2-one is sourced from PubChem (CID 146188029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).