3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one

C6H11ClN2O2 — CID 54585437

IUPAC3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one
SMILESCN1CC(C)(CO)N(Cl)C1=O
InChIInChI=1S/C6H11ClN2O2/c1-6(4-10)3-8(2)5(11)9(6)7/h10H,3-4H2,1-2H3
InChIKeyZKUKLPIJLOJPOO-UHFFFAOYSA-N
MW178.62 g/mol
LogP0.26
Rot. Bonds1

About 3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one

3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one (PubChem CID 54585437) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one
PubChem CID54585437
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one
SMILESCN1CC(C)(CO)N(Cl)C1=O
InChIInChI=1S/C6H11ClN2O2/c1-6(4-10)3-8(2)5(11)9(6)7/h10H,3-4H2,1-2H3
InChIKeyZKUKLPIJLOJPOO-UHFFFAOYSA-N
XLogP0.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one?
The IUPAC name of 3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one (CID 54585437) is 3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one?
The canonical SMILES for 3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one is CN1CC(C)(CO)N(Cl)C1=O.
What is the InChIKey of 3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one?
The InChIKey is ZKUKLPIJLOJPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c1-6(4-10)3-8(2)5(11)9(6)7/h10H,3-4H2,1-2H3.
What are the key properties of 3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one?
3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one has a molecular weight of 178.62 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(hydroxymethyl)-1,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 54585437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).