1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one

C15H28N4O8 — CID 20557124

IUPAC1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one
SMILESCOC1C(OC)N(CN2C(=O)N(CCO)C(OC)C2OC)C(=O)N1CCO
InChIInChI=1S/C15H28N4O8/c1-24-10-12(26-3)18(14(22)16(10)5-7-20)9-19-13(27-4)11(25-2)17(6-8-21)15(19)23/h10-13,20-21H,5-9H2,1-4H3
InChIKeyJNOARMNKEVZEKF-UHFFFAOYSA-N
MW392.41 g/mol
LogP-1.71
Rot. Bonds10

About 1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one

1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one (PubChem CID 20557124) has the molecular formula C15H28N4O8 and a molecular weight of 392.41 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one
PubChem CID20557124
Molecular FormulaC15H28N4O8
Molecular Weight392.41 g/mol
Exact Mass392.19
IUPAC Name1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one
SMILESCOC1C(OC)N(CN2C(=O)N(CCO)C(OC)C2OC)C(=O)N1CCO
InChIInChI=1S/C15H28N4O8/c1-24-10-12(26-3)18(14(22)16(10)5-7-20)9-19-13(27-4)11(25-2)17(6-8-21)15(19)23/h10-13,20-21H,5-9H2,1-4H3
InChIKeyJNOARMNKEVZEKF-UHFFFAOYSA-N
XLogP-1.71
TPSA124.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one (CID 20557124) is 1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one is COC1C(OC)N(CN2C(=O)N(CCO)C(OC)C2OC)C(=O)N1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one?
The InChIKey is JNOARMNKEVZEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O8/c1-24-10-12(26-3)18(14(22)16(10)5-7-20)9-19-13(27-4)11(25-2)17(6-8-21)15(19)23/h10-13,20-21H,5-9H2,1-4H3.
What are the key properties of 1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one?
1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one has a molecular weight of 392.41 g/mol, XLogP of -1.71, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one is sourced from PubChem (CID 20557124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).