1,4,5-trimethylimidazolidin-2-one

C6H12N2O — CID 20583490

IUPAC1,4,5-trimethylimidazolidin-2-one
SMILESCC1NC(=O)N(C)C1C
InChIInChI=1S/C6H12N2O/c1-4-5(2)8(3)6(9)7-4/h4-5H,1-3H3,(H,7,9)
InChIKeyWKCKAXQBHXZZCB-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.42
Rot. Bonds

About 1,4,5-trimethylimidazolidin-2-one

1,4,5-trimethylimidazolidin-2-one (PubChem CID 20583490) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1,4,5-trimethylimidazolidin-2-one.

Molecular Properties

Compound Name1,4,5-trimethylimidazolidin-2-one
PubChem CID20583490
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1,4,5-trimethylimidazolidin-2-one
SMILESCC1NC(=O)N(C)C1C
InChIInChI=1S/C6H12N2O/c1-4-5(2)8(3)6(9)7-4/h4-5H,1-3H3,(H,7,9)
InChIKeyWKCKAXQBHXZZCB-UHFFFAOYSA-N
XLogP0.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethylimidazolidin-2-one?
The IUPAC name of 1,4,5-trimethylimidazolidin-2-one (CID 20583490) is 1,4,5-trimethylimidazolidin-2-one.
What is the SMILES notation for 1,4,5-trimethylimidazolidin-2-one?
The canonical SMILES for 1,4,5-trimethylimidazolidin-2-one is CC1NC(=O)N(C)C1C.
What is the InChIKey of 1,4,5-trimethylimidazolidin-2-one?
The InChIKey is WKCKAXQBHXZZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-5(2)8(3)6(9)7-4/h4-5H,1-3H3,(H,7,9).
What are the key properties of 1,4,5-trimethylimidazolidin-2-one?
1,4,5-trimethylimidazolidin-2-one has a molecular weight of 128.17 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethylimidazolidin-2-one is sourced from PubChem (CID 20583490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).