1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one

C26H52N4O6 — CID 158416562

IUPAC1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one
SMILESCC(C)COCN1CCN(COCC(C)C)C1=O.CC(C)COCN1CCN(COCC(C)C)C1=O
InChIInChI=1S/2C13H26N2O3/c2*1-11(2)7-17-9-14-5-6-15(13(14)16)10-18-8-12(3)4/h2*11-12H,5-10H2,1-4H3
InChIKeyGZYVYBCXZAFDIE-UHFFFAOYSA-N
MW516.72 g/mol
LogP3.97
Rot. Bonds16

About 1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one

1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one (PubChem CID 158416562) has the molecular formula C26H52N4O6 and a molecular weight of 516.72 g/mol. Its IUPAC name is 1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one
PubChem CID158416562
Molecular FormulaC26H52N4O6
Molecular Weight516.72 g/mol
Exact Mass516.39
IUPAC Name1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one
SMILESCC(C)COCN1CCN(COCC(C)C)C1=O.CC(C)COCN1CCN(COCC(C)C)C1=O
InChIInChI=1S/2C13H26N2O3/c2*1-11(2)7-17-9-14-5-6-15(13(14)16)10-18-8-12(3)4/h2*11-12H,5-10H2,1-4H3
InChIKeyGZYVYBCXZAFDIE-UHFFFAOYSA-N
XLogP3.97
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.72
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-bis(ethoxymethyl)imidazolidin-2-one
CID 159426248
1,3-bis(methoxymethyl)imidazolidin-2-one
CID 161294962
1-(1-hydroxyethyl)-3-(methoxymethyl)imidazolidin-2-one
CID 89378670
3-(2-methylpropoxymethyl)-1,3-oxazolidine
CID 154368992
1-(2-hydroxyethyl)-3-(methoxymethyl)imidazolidin-2-one
CID 67989939
1-cyclobutyl-3-(ethoxymethyl)imidazolidin-2-one
CID 166943016
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
1-(2-propan-2-yloxyethyl)-3-(2-propoxyethyl)imidazolidin-2-one
CID 139925691
1-hydroxy-3-(methoxymethyl)imidazolidin-2-one
CID 45082831
1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one
CID 155068728
2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine
CID 155088178
4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide
CID 165472129

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one?
The IUPAC name of 1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one (CID 158416562) is 1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one.
What is the SMILES notation for 1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one?
The canonical SMILES for 1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one is CC(C)COCN1CCN(COCC(C)C)C1=O.CC(C)COCN1CCN(COCC(C)C)C1=O.
What is the InChIKey of 1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one?
The InChIKey is GZYVYBCXZAFDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H26N2O3/c2*1-11(2)7-17-9-14-5-6-15(13(14)16)10-18-8-12(3)4/h2*11-12H,5-10H2,1-4H3.
What are the key properties of 1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one?
1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one has a molecular weight of 516.72 g/mol, XLogP of 3.97, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylpropoxymethyl)imidazolidin-2-one is sourced from PubChem (CID 158416562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).