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

C13H25Cl2N3O2 — CID 54587423

IUPAC5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride
SMILESCC1(C)C(=O)N(CCCCC[N+](C)(C)C)C(=O)N1Cl.[Cl-]
InChIInChI=1S/C13H25ClN3O2.ClH/c1-13(2)11(18)15(12(19)16(13)14)9-7-6-8-10-17(3,4)5;/h6-10H2,1-5H3;1H/q+1;/p-1
InChIKeyGLUXQXFYRUFCEE-UHFFFAOYSA-M
MW326.27 g/mol
LogP-0.94
Rot. Bonds6

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

5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride (PubChem CID 54587423) has the molecular formula C13H25Cl2N3O2 and a molecular weight of 326.27 g/mol. Its IUPAC name is 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride.

Molecular Properties

Compound Name5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride
PubChem CID54587423
Molecular FormulaC13H25Cl2N3O2
Molecular Weight326.27 g/mol
Exact Mass325.13
IUPAC Name5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride
SMILESCC1(C)C(=O)N(CCCCC[N+](C)(C)C)C(=O)N1Cl.[Cl-]
InChIInChI=1S/C13H25ClN3O2.ClH/c1-13(2)11(18)15(12(19)16(13)14)9-7-6-8-10-17(3,4)5;/h6-10H2,1-5H3;1H/q+1;/p-1
InChIKeyGLUXQXFYRUFCEE-UHFFFAOYSA-M
XLogP-0.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-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

Related Compounds

3-Tert-butyl-1,5,5-trimethylimidazolidine-2,4-dione
CID 12399725
(3-Chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride
CID 46202003
3-(3-Chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride
CID 46202350
5-(3-Chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium chloride
CID 53232456
3-(3-Chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride
CID 54587421
3-(3-Chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium dichloride
CID 172464915
1-Chloro-3,5,5-trimethylimidazolidine-2,4-dione
CID 12847943
1-Chloro-3-ethyl-5,5-dimethylhydantoin
CID 86243328
3-Chloro-1,5,5-trimethylimidazolidine-2,4-dione
CID 102279697
(3-Chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium
CID 46202004
3-(3-Chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)propyl-trimethylazanium
CID 46202351
3-(3-Chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium
CID 54587422

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride?
The IUPAC name of 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride (CID 54587423) is 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride.
What is the SMILES notation for 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride?
The canonical SMILES for 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride is CC1(C)C(=O)N(CCCCC[N+](C)(C)C)C(=O)N1Cl.[Cl-].
What is the InChIKey of 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride?
The InChIKey is GLUXQXFYRUFCEE-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H25ClN3O2.ClH/c1-13(2)11(18)15(12(19)16(13)14)9-7-6-8-10-17(3,4)5;/h6-10H2,1-5H3;1H/q+1;/p-1.
What are the key properties of 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride?
5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride has a molecular weight of 326.27 g/mol, XLogP of -0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride is sourced from PubChem (CID 54587423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).