4,4,5-trimethylimidazolidin-2-one

C6H12N2O — CID 14251533

IUPAC4,4,5-trimethylimidazolidin-2-one
SMILESCC1NC(=O)NC1(C)C
InChIInChI=1S/C6H12N2O/c1-4-6(2,3)8-5(9)7-4/h4H,1-3H3,(H2,7,8,9)
InChIKeyRCGWGFBQLFHMRJ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.47
Rot. Bonds

About 4,4,5-trimethylimidazolidin-2-one

4,4,5-trimethylimidazolidin-2-one (PubChem CID 14251533) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 4,4,5-trimethylimidazolidin-2-one.

Molecular Properties

Compound Name4,4,5-trimethylimidazolidin-2-one
PubChem CID14251533
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name4,4,5-trimethylimidazolidin-2-one
SMILESCC1NC(=O)NC1(C)C
InChIInChI=1S/C6H12N2O/c1-4-6(2,3)8-5(9)7-4/h4H,1-3H3,(H2,7,8,9)
InChIKeyRCGWGFBQLFHMRJ-UHFFFAOYSA-N
XLogP0.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethylimidazolidin-2-one?
The IUPAC name of 4,4,5-trimethylimidazolidin-2-one (CID 14251533) is 4,4,5-trimethylimidazolidin-2-one.
What is the SMILES notation for 4,4,5-trimethylimidazolidin-2-one?
The canonical SMILES for 4,4,5-trimethylimidazolidin-2-one is CC1NC(=O)NC1(C)C.
What is the InChIKey of 4,4,5-trimethylimidazolidin-2-one?
The InChIKey is RCGWGFBQLFHMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-6(2,3)8-5(9)7-4/h4H,1-3H3,(H2,7,8,9).
What are the key properties of 4,4,5-trimethylimidazolidin-2-one?
4,4,5-trimethylimidazolidin-2-one has a molecular weight of 128.17 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethylimidazolidin-2-one is sourced from PubChem (CID 14251533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).