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

C9H17Cl2N3O2 — CID 46202003

IUPAC(3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride
SMILESCN1C(=O)N(Cl)C(C)(C[N+](C)(C)C)C1=O.[Cl-]
InChIInChI=1S/C9H17ClN3O2.ClH/c1-9(6-13(3,4)5)7(14)11(2)8(15)12(9)10;/h6H2,1-5H3;1H/q+1;/p-1
InChIKeyNXMPKIFVBMRZPG-UHFFFAOYSA-M
MW270.16 g/mol
LogP-2.50
Rot. Bonds2

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

(3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride (PubChem CID 46202003) has the molecular formula C9H17Cl2N3O2 and a molecular weight of 270.16 g/mol. Its IUPAC name is (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride.

Molecular Properties

Compound Name(3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride
PubChem CID46202003
Molecular FormulaC9H17Cl2N3O2
Molecular Weight270.16 g/mol
Exact Mass269.07
IUPAC Name(3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride
SMILESCN1C(=O)N(Cl)C(C)(C[N+](C)(C)C)C1=O.[Cl-]
InChIInChI=1S/C9H17ClN3O2.ClH/c1-9(6-13(3,4)5)7(14)11(2)8(15)12(9)10;/h6H2,1-5H3;1H/q+1;/p-1
InChIKeyNXMPKIFVBMRZPG-UHFFFAOYSA-M
XLogP-2.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 5-2.50
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-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-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-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride?
The IUPAC name of (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride (CID 46202003) is (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride.
What is the SMILES notation for (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride?
The canonical SMILES for (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride is CN1C(=O)N(Cl)C(C)(C[N+](C)(C)C)C1=O.[Cl-].
What is the InChIKey of (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride?
The InChIKey is NXMPKIFVBMRZPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17ClN3O2.ClH/c1-9(6-13(3,4)5)7(14)11(2)8(15)12(9)10;/h6H2,1-5H3;1H/q+1;/p-1.
What are the key properties of (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride?
(3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride has a molecular weight of 270.16 g/mol, XLogP of -2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium chloride is sourced from PubChem (CID 46202003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).