3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride

C11H21Cl2N3O2 — CID 54587421

IUPAC3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride
SMILESCC1(C)C(=O)N(CCC[N+](C)(C)C)C(=O)N1Cl.[Cl-]
InChIInChI=1S/C11H21ClN3O2.ClH/c1-11(2)9(16)13(10(17)14(11)12)7-6-8-15(3,4)5;/h6-8H2,1-5H3;1H/q+1;/p-1
InChIKeyVBSFCBALZASHQP-UHFFFAOYSA-M
MW298.21 g/mol
LogP-1.72
Rot. Bonds4

About 3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride

3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride (PubChem CID 54587421) has the molecular formula C11H21Cl2N3O2 and a molecular weight of 298.21 g/mol. Its IUPAC name is 3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride.

Molecular Properties

Compound Name3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride
PubChem CID54587421
Molecular FormulaC11H21Cl2N3O2
Molecular Weight298.21 g/mol
Exact Mass297.10
IUPAC Name3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride
SMILESCC1(C)C(=O)N(CCC[N+](C)(C)C)C(=O)N1Cl.[Cl-]
InChIInChI=1S/C11H21ClN3O2.ClH/c1-11(2)9(16)13(10(17)14(11)12)7-6-8-15(3,4)5;/h6-8H2,1-5H3;1H/q+1;/p-1
InChIKeyVBSFCBALZASHQP-UHFFFAOYSA-M
XLogP-1.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride 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 3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride?
The IUPAC name of 3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride (CID 54587421) is 3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride.
What is the SMILES notation for 3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride?
The canonical SMILES for 3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride is CC1(C)C(=O)N(CCC[N+](C)(C)C)C(=O)N1Cl.[Cl-].
What is the InChIKey of 3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride?
The InChIKey is VBSFCBALZASHQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H21ClN3O2.ClH/c1-11(2)9(16)13(10(17)14(11)12)7-6-8-15(3,4)5;/h6-8H2,1-5H3;1H/q+1;/p-1.
What are the key properties of 3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride?
3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride has a molecular weight of 298.21 g/mol, XLogP of -1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride is sourced from PubChem (CID 54587421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).