2-tert-butyl-3-methylimidazolidin-4-one

C8H16N2O — CID 10964761

IUPAC2-tert-butyl-3-methylimidazolidin-4-one
SMILESCN1C(=O)CNC1C(C)(C)C
InChIInChI=1S/C8H16N2O/c1-8(2,3)7-9-5-6(11)10(7)4/h7,9H,5H2,1-4H3
InChIKeyOJQPHIZTBKZOTI-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.42
Rot. Bonds

About 2-tert-butyl-3-methylimidazolidin-4-one

2-tert-butyl-3-methylimidazolidin-4-one (PubChem CID 10964761) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-tert-butyl-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-3-methylimidazolidin-4-one
PubChem CID10964761
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-tert-butyl-3-methylimidazolidin-4-one
SMILESCN1C(=O)CNC1C(C)(C)C
InChIInChI=1S/C8H16N2O/c1-8(2,3)7-9-5-6(11)10(7)4/h7,9H,5H2,1-4H3
InChIKeyOJQPHIZTBKZOTI-UHFFFAOYSA-N
XLogP0.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-3-methylimidazolidin-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-3-methylimidazolidin-4-one?
The IUPAC name of 2-tert-butyl-3-methylimidazolidin-4-one (CID 10964761) is 2-tert-butyl-3-methylimidazolidin-4-one.
What is the SMILES notation for 2-tert-butyl-3-methylimidazolidin-4-one?
The canonical SMILES for 2-tert-butyl-3-methylimidazolidin-4-one is CN1C(=O)CNC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methylimidazolidin-4-one?
The InChIKey is OJQPHIZTBKZOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,3)7-9-5-6(11)10(7)4/h7,9H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-3-methylimidazolidin-4-one?
2-tert-butyl-3-methylimidazolidin-4-one has a molecular weight of 156.23 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methylimidazolidin-4-one is sourced from PubChem (CID 10964761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).