1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one

C15H28N4O8 — CID 20561491

IUPAC1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one
SMILESCCCOCN1C(=O)N(CN2C(=O)N(COCCC)C(O)C2O)C(O)C1O
InChIInChI=1S/C15H28N4O8/c1-3-5-26-8-18-12(22)10(20)16(14(18)24)7-17-11(21)13(23)19(15(17)25)9-27-6-4-2/h10-13,20-23H,3-9H2,1-2H3
InChIKeyGUXQTGFOWSMYEA-UHFFFAOYSA-N
MW392.41 g/mol
LogP-1.54
Rot. Bonds10

About 1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one

1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one (PubChem CID 20561491) has the molecular formula C15H28N4O8 and a molecular weight of 392.41 g/mol. Its IUPAC name is 1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one
PubChem CID20561491
Molecular FormulaC15H28N4O8
Molecular Weight392.41 g/mol
Exact Mass392.19
IUPAC Name1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one
SMILESCCCOCN1C(=O)N(CN2C(=O)N(COCCC)C(O)C2O)C(O)C1O
InChIInChI=1S/C15H28N4O8/c1-3-5-26-8-18-12(22)10(20)16(14(18)24)7-17-11(21)13(23)19(15(17)25)9-27-6-4-2/h10-13,20-23H,3-9H2,1-2H3
InChIKeyGUXQTGFOWSMYEA-UHFFFAOYSA-N
XLogP-1.54
TPSA146.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydro-1,3,4,6-tetrakis((2-hydroxyethoxy)methyl)imidazo(4,5-d)imidazole-2,5(1H,3H)-dione
CID 105813
2-Imidazolidinone, 4,5-dihydroxy-1,3-bis((1-methylethoxy)methyl)-
CID 115838
2-Imidazolidinone, 1,1'-methylenebis[4,5-dihydroxy-3-(2-hydroxyethyl)-
CID 116712
1-[(4,5-Dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one
CID 20557106
1-[[3-[[4,5-Dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one
CID 20557107
1-[[4,5-Dihydroxy-3-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one
CID 20557110
1-Butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one
CID 20557113
1-[4-[4,5-Dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one
CID 20557116
1-[[4,5-Dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one
CID 20557117
1-Ethyl-3-[(3-ethyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one
CID 20557120
1-[[3-[(4,5-Dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one
CID 20557123
1-(2-Hydroxyethyl)-3-[[3-(2-hydroxyethyl)-4,5-dimethoxy-2-oxoimidazolidin-1-yl]methyl]-4,5-dimethoxyimidazolidin-2-one
CID 20557124

Frequently Asked Questions

What is the IUPAC name of 1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one?
The IUPAC name of 1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one (CID 20561491) is 1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one.
What is the SMILES notation for 1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one?
The canonical SMILES for 1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one is CCCOCN1C(=O)N(CN2C(=O)N(COCCC)C(O)C2O)C(O)C1O.
What is the InChIKey of 1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one?
The InChIKey is GUXQTGFOWSMYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O8/c1-3-5-26-8-18-12(22)10(20)16(14(18)24)7-17-11(21)13(23)19(15(17)25)9-27-6-4-2/h10-13,20-23H,3-9H2,1-2H3.
What are the key properties of 1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one?
1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one has a molecular weight of 392.41 g/mol, XLogP of -1.54, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,5-dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one is sourced from PubChem (CID 20561491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).