5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium

C15H31ClN3O+ — CID 53232457

IUPAC5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium
SMILESCC1(C)C(=O)N(CCCCC[N+](C)(C)C)C(C)(C)N1Cl
InChIInChI=1S/C15H31ClN3O/c1-14(2)13(20)17(15(3,4)18(14)16)11-9-8-10-12-19(5,6)7/h8-12H2,1-7H3/q+1
InChIKeyYVAPFKQPAZNHNZ-UHFFFAOYSA-N
MW304.89 g/mol
LogP2.68
Rot. Bonds6

About 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium

5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium (PubChem CID 53232457) has the molecular formula C15H31ClN3O+ and a molecular weight of 304.89 g/mol. Its IUPAC name is 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium.

Molecular Properties

Compound Name5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium
PubChem CID53232457
Molecular FormulaC15H31ClN3O+
Molecular Weight304.89 g/mol
Exact Mass304.22
IUPAC Name5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium
SMILESCC1(C)C(=O)N(CCCCC[N+](C)(C)C)C(C)(C)N1Cl
InChIInChI=1S/C15H31ClN3O/c1-14(2)13(20)17(15(3,4)18(14)16)11-9-8-10-12-19(5,6)7/h8-12H2,1-7H3/q+1
InChIKeyYVAPFKQPAZNHNZ-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.89
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Tert-butyl-1,5,5-trimethylimidazolidine-2,4-dione
CID 12399725
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
5-(3-Chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium chloride
CID 54587423
3-(3-Chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium dichloride
CID 172464915
1-Chloro-3-ethyl-5,5-dimethylhydantoin
CID 86243328
(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
1,5,5-Trimethyl-3-(propan-2-yl)imidazolidine-2,4-dione
CID 14975700
5-(3-Chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentyl-trimethylazanium
CID 54587424

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium?
The IUPAC name of 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium (CID 53232457) is 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium.
What is the SMILES notation for 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium?
The canonical SMILES for 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium is CC1(C)C(=O)N(CCCCC[N+](C)(C)C)C(C)(C)N1Cl.
What is the InChIKey of 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium?
The InChIKey is YVAPFKQPAZNHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31ClN3O/c1-14(2)13(20)17(15(3,4)18(14)16)11-9-8-10-12-19(5,6)7/h8-12H2,1-7H3/q+1.
What are the key properties of 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium?
5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium has a molecular weight of 304.89 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium is sourced from PubChem (CID 53232457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).