1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one

C9H18N2O2 — CID 84770128

IUPAC1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one
SMILESCC(C)(C)N1CCN(CCO)C1=O
InChIInChI=1S/C9H18N2O2/c1-9(2,3)11-5-4-10(6-7-12)8(11)13/h12H,4-7H2,1-3H3
InChIKeyFAFQDJVIOLUESC-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.51
Rot. Bonds2

About 1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one

1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one (PubChem CID 84770128) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one
PubChem CID84770128
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one
SMILESCC(C)(C)N1CCN(CCO)C1=O
InChIInChI=1S/C9H18N2O2/c1-9(2,3)11-5-4-10(6-7-12)8(11)13/h12H,4-7H2,1-3H3
InChIKeyFAFQDJVIOLUESC-UHFFFAOYSA-N
XLogP0.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one?
The IUPAC name of 1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one (CID 84770128) is 1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one?
The canonical SMILES for 1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one is CC(C)(C)N1CCN(CCO)C1=O.
What is the InChIKey of 1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one?
The InChIKey is FAFQDJVIOLUESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)11-5-4-10(6-7-12)8(11)13/h12H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one?
1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one has a molecular weight of 186.25 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one is sourced from PubChem (CID 84770128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).