1,3-ditert-butylimidazolidin-2-one

C11H22N2O — CID 741819

IUPAC1,3-ditert-butylimidazolidin-2-one
SMILESCC(C)(C)N1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C11H22N2O/c1-10(2,3)12-7-8-13(9(12)14)11(4,5)6/h7-8H2,1-6H3
InChIKeyKKACSBHNOIWUNX-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.32
Rot. Bonds

About 1,3-ditert-butylimidazolidin-2-one

1,3-ditert-butylimidazolidin-2-one (PubChem CID 741819) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,3-ditert-butylimidazolidin-2-one.

Molecular Properties

Compound Name1,3-ditert-butylimidazolidin-2-one
PubChem CID741819
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1,3-ditert-butylimidazolidin-2-one
SMILESCC(C)(C)N1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C11H22N2O/c1-10(2,3)12-7-8-13(9(12)14)11(4,5)6/h7-8H2,1-6H3
InChIKeyKKACSBHNOIWUNX-UHFFFAOYSA-N
XLogP2.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butylimidazolidin-2-one?
The IUPAC name of 1,3-ditert-butylimidazolidin-2-one (CID 741819) is 1,3-ditert-butylimidazolidin-2-one.
What is the SMILES notation for 1,3-ditert-butylimidazolidin-2-one?
The canonical SMILES for 1,3-ditert-butylimidazolidin-2-one is CC(C)(C)N1CCN(C(C)(C)C)C1=O.
What is the InChIKey of 1,3-ditert-butylimidazolidin-2-one?
The InChIKey is KKACSBHNOIWUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2,3)12-7-8-13(9(12)14)11(4,5)6/h7-8H2,1-6H3.
What are the key properties of 1,3-ditert-butylimidazolidin-2-one?
1,3-ditert-butylimidazolidin-2-one has a molecular weight of 198.31 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butylimidazolidin-2-one is sourced from PubChem (CID 741819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).