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

C15H31Cl2N3O — CID 53232456

IUPAC5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium chloride
SMILESCC1(C)C(=O)N(CCCCC[N+](C)(C)C)C(C)(C)N1Cl.[Cl-]
InChIInChI=1S/C15H31ClN3O.ClH/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;1H/q+1;/p-1
InChIKeyGVNVIDWNERLUPI-UHFFFAOYSA-M
MW340.34 g/mol
LogP-0.32
Rot. Bonds6

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

5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium chloride (PubChem CID 53232456) has the molecular formula C15H31Cl2N3O and a molecular weight of 340.34 g/mol. Its IUPAC name is 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium chloride.

Molecular Properties

Compound Name5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium chloride
PubChem CID53232456
Molecular FormulaC15H31Cl2N3O
Molecular Weight340.34 g/mol
Exact Mass339.18
IUPAC Name5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium chloride
SMILESCC1(C)C(=O)N(CCCCC[N+](C)(C)C)C(C)(C)N1Cl.[Cl-]
InChIInChI=1S/C15H31ClN3O.ClH/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;1H/q+1;/p-1
InChIKeyGVNVIDWNERLUPI-UHFFFAOYSA-M
XLogP-0.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 5-0.32
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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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium chloride?
The IUPAC name of 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium chloride (CID 53232456) is 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium chloride.
What is the SMILES notation for 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium chloride?
The canonical SMILES for 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium chloride is CC1(C)C(=O)N(CCCCC[N+](C)(C)C)C(C)(C)N1Cl.[Cl-].
What is the InChIKey of 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium chloride?
The InChIKey is GVNVIDWNERLUPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H31ClN3O.ClH/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;1H/q+1;/p-1.
What are the key properties of 5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium chloride?
5-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)pentyl-trimethylazanium chloride has a molecular weight of 340.34 g/mol, XLogP of -0.32, 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 chloride is sourced from PubChem (CID 53232456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).