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

C9H17ClN3O2+ — CID 46202004

IUPAC(3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium
SMILESCN1C(=O)N(Cl)C(C)(C[N+](C)(C)C)C1=O
InChIInChI=1S/C9H17ClN3O2/c1-9(6-13(3,4)5)7(14)11(2)8(15)12(9)10/h6H2,1-5H3/q+1
InChIKeyFICIOZBBNIRYKY-UHFFFAOYSA-N
MW234.71 g/mol
LogP0.50
Rot. Bonds2

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

(3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium (PubChem CID 46202004) has the molecular formula C9H17ClN3O2+ and a molecular weight of 234.71 g/mol. Its IUPAC name is (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium.

Molecular Properties

Compound Name(3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium
PubChem CID46202004
Molecular FormulaC9H17ClN3O2+
Molecular Weight234.71 g/mol
Exact Mass234.10
IUPAC Name(3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium
SMILESCN1C(=O)N(Cl)C(C)(C[N+](C)(C)C)C1=O
InChIInChI=1S/C9H17ClN3O2/c1-9(6-13(3,4)5)7(14)11(2)8(15)12(9)10/h6H2,1-5H3/q+1
InChIKeyFICIOZBBNIRYKY-UHFFFAOYSA-N
XLogP0.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 50.50
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'}

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium?
The IUPAC name of (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium (CID 46202004) is (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium.
What is the SMILES notation for (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium?
The canonical SMILES for (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium is CN1C(=O)N(Cl)C(C)(C[N+](C)(C)C)C1=O.
What is the InChIKey of (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium?
The InChIKey is FICIOZBBNIRYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN3O2/c1-9(6-13(3,4)5)7(14)11(2)8(15)12(9)10/h6H2,1-5H3/q+1.
What are the key properties of (3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium?
(3-chloro-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)methyl-trimethylazanium has a molecular weight of 234.71 g/mol, XLogP of 0.50, 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 is sourced from PubChem (CID 46202004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).