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

C13H27Cl2N3O — CID 46202348

IUPAC3-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride
SMILESCC1(C)C(=O)N(Cl)C(C)(C)N1CCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C13H27ClN3O.ClH/c1-12(2)11(18)16(14)13(3,4)15(12)9-8-10-17(5,6)7;/h8-10H2,1-7H3;1H/q+1;/p-1
InChIKeyOWRBMCMQKBUYBT-UHFFFAOYSA-M
MW312.29 g/mol
LogP-1.10
Rot. Bonds4

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

3-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride (PubChem CID 46202348) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride.

Molecular Properties

Compound Name3-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride
PubChem CID46202348
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC Name3-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride
SMILESCC1(C)C(=O)N(Cl)C(C)(C)N1CCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C13H27ClN3O.ClH/c1-12(2)11(18)16(14)13(3,4)15(12)9-8-10-17(5,6)7;/h8-10H2,1-7H3;1H/q+1;/p-1
InChIKeyOWRBMCMQKBUYBT-UHFFFAOYSA-M
XLogP-1.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride?
The IUPAC name of 3-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride (CID 46202348) is 3-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride.
What is the SMILES notation for 3-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride?
The canonical SMILES for 3-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride is CC1(C)C(=O)N(Cl)C(C)(C)N1CCC[N+](C)(C)C.[Cl-].
What is the InChIKey of 3-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride?
The InChIKey is OWRBMCMQKBUYBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H27ClN3O.ClH/c1-12(2)11(18)16(14)13(3,4)15(12)9-8-10-17(5,6)7;/h8-10H2,1-7H3;1H/q+1;/p-1.
What are the key properties of 3-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride?
3-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride has a molecular weight of 312.29 g/mol, XLogP of -1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2,2,5,5-tetramethyl-4-oxoimidazolidin-1-yl)propyl-trimethylazanium chloride is sourced from PubChem (CID 46202348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).