1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide

C10H18ClN3O6 — CID 70288068

IUPAC1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide
SMILESCC1(C)C(=O)N(CO)C(=O)N1CO.O=C(CCl)NCO
InChIInChI=1S/C7H12N2O4.C3H6ClNO2/c1-7(2)5(12)8(3-10)6(13)9(7)4-11;4-1-3(7)5-2-6/h10-11H,3-4H2,1-2H3;6H,1-2H2,(H,5,7)
InChIKeyKOEVDFUIOFCIPM-UHFFFAOYSA-N
MW311.72 g/mol
LogP-1.78
Rot. Bonds4

About 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide

1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide (PubChem CID 70288068) has the molecular formula C10H18ClN3O6 and a molecular weight of 311.72 g/mol. Its IUPAC name is 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide.

Molecular Properties

Compound Name1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide
PubChem CID70288068
Molecular FormulaC10H18ClN3O6
Molecular Weight311.72 g/mol
Exact Mass311.09
IUPAC Name1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide
SMILESCC1(C)C(=O)N(CO)C(=O)N1CO.O=C(CCl)NCO
InChIInChI=1S/C7H12N2O4.C3H6ClNO2/c1-7(2)5(12)8(3-10)6(13)9(7)4-11;4-1-3(7)5-2-6/h10-11H,3-4H2,1-2H3;6H,1-2H2,(H,5,7)
InChIKeyKOEVDFUIOFCIPM-UHFFFAOYSA-N
XLogP-1.78
TPSA130.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide?
The IUPAC name of 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide (CID 70288068) is 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide.
What is the SMILES notation for 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide?
The canonical SMILES for 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide is CC1(C)C(=O)N(CO)C(=O)N1CO.O=C(CCl)NCO.
What is the InChIKey of 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide?
The InChIKey is KOEVDFUIOFCIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4.C3H6ClNO2/c1-7(2)5(12)8(3-10)6(13)9(7)4-11;4-1-3(7)5-2-6/h10-11H,3-4H2,1-2H3;6H,1-2H2,(H,5,7).
What are the key properties of 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide?
1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide has a molecular weight of 311.72 g/mol, XLogP of -1.78, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;2-chloro-N-(hydroxymethyl)acetamide is sourced from PubChem (CID 70288068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).