1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one

C29H54Cl2N4O8 — CID 87942063

IUPAC1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one
SMILESCC1(C)C(=O)N(CCOCCCOCCOCCOCCOCCOCCN2C(=O)C(C)(C)N(Cl)C2(C)C)C(C)(C)N1Cl
InChIInChI=1S/C29H54Cl2N4O8/c1-26(2)24(36)32(28(5,6)34(26)30)10-14-38-12-9-13-39-16-18-41-20-22-43-23-21-42-19-17-40-15-11-33-25(37)27(3,4)35(31)29(33,7)8/h9-23H2,1-8H3
InChIKeyZOEHNMQXDUXHQE-UHFFFAOYSA-N
MW657.68 g/mol
LogP3.10
Rot. Bonds22

About 1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one

1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one (PubChem CID 87942063) has the molecular formula C29H54Cl2N4O8 and a molecular weight of 657.68 g/mol. Its IUPAC name is 1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one.

Molecular Properties

Compound Name1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one
PubChem CID87942063
Molecular FormulaC29H54Cl2N4O8
Molecular Weight657.68 g/mol
Exact Mass656.33
IUPAC Name1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one
SMILESCC1(C)C(=O)N(CCOCCCOCCOCCOCCOCCOCCN2C(=O)C(C)(C)N(Cl)C2(C)C)C(C)(C)N1Cl
InChIInChI=1S/C29H54Cl2N4O8/c1-26(2)24(36)32(28(5,6)34(26)30)10-14-38-12-9-13-39-16-18-41-20-22-43-23-21-42-19-17-40-15-11-33-25(37)27(3,4)35(31)29(33,7)8/h9-23H2,1-8H3
InChIKeyZOEHNMQXDUXHQE-UHFFFAOYSA-N
XLogP3.10
TPSA102.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.68
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one?
The IUPAC name of 1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one (CID 87942063) is 1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one.
What is the SMILES notation for 1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one?
The canonical SMILES for 1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one is CC1(C)C(=O)N(CCOCCCOCCOCCOCCOCCOCCN2C(=O)C(C)(C)N(Cl)C2(C)C)C(C)(C)N1Cl.
What is the InChIKey of 1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one?
The InChIKey is ZOEHNMQXDUXHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54Cl2N4O8/c1-26(2)24(36)32(28(5,6)34(26)30)10-14-38-12-9-13-39-16-18-41-20-22-43-23-21-42-19-17-40-15-11-33-25(37)27(3,4)35(31)29(33,7)8/h9-23H2,1-8H3.
What are the key properties of 1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one?
1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one has a molecular weight of 657.68 g/mol, XLogP of 3.10, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-[3-[2-[2-[2-[2-[2-(3-chloro-2,2,4,4-tetramethyl-5-oxoimidazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethyl]-2,2,5,5-tetramethylimidazolidin-4-one is sourced from PubChem (CID 87942063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).