2-tert-butyl-1,3-dimethylimidazolidin-4-one

C9H18N2O — CID 574684

IUPAC2-tert-butyl-1,3-dimethylimidazolidin-4-one
SMILESCN1CC(=O)N(C)C1C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-9(2,3)8-10(4)6-7(12)11(8)5/h8H,6H2,1-5H3
InChIKeyQSNLHSBFQLISSE-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.76
Rot. Bonds

About 2-tert-butyl-1,3-dimethylimidazolidin-4-one

2-tert-butyl-1,3-dimethylimidazolidin-4-one (PubChem CID 574684) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-1,3-dimethylimidazolidin-4-one
PubChem CID574684
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-tert-butyl-1,3-dimethylimidazolidin-4-one
SMILESCN1CC(=O)N(C)C1C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-9(2,3)8-10(4)6-7(12)11(8)5/h8H,6H2,1-5H3
InChIKeyQSNLHSBFQLISSE-UHFFFAOYSA-N
XLogP0.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-1,3-dimethylimidazolidin-4-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-tert-butyl-1,3-dimethylimidazolidin-4-one?
The IUPAC name of 2-tert-butyl-1,3-dimethylimidazolidin-4-one (CID 574684) is 2-tert-butyl-1,3-dimethylimidazolidin-4-one.
What is the SMILES notation for 2-tert-butyl-1,3-dimethylimidazolidin-4-one?
The canonical SMILES for 2-tert-butyl-1,3-dimethylimidazolidin-4-one is CN1CC(=O)N(C)C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1,3-dimethylimidazolidin-4-one?
The InChIKey is QSNLHSBFQLISSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)8-10(4)6-7(12)11(8)5/h8H,6H2,1-5H3.
What are the key properties of 2-tert-butyl-1,3-dimethylimidazolidin-4-one?
2-tert-butyl-1,3-dimethylimidazolidin-4-one has a molecular weight of 170.26 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-dimethylimidazolidin-4-one is sourced from PubChem (CID 574684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).