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

C15H28N4O8 — CID 20557117

IUPAC1-[[4,5-dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one
SMILESO=C1N(CCCCO)C(O)C(O)N1CN1C(=O)N(CCCCO)C(O)C1O
InChIInChI=1S/C15H28N4O8/c20-7-3-1-5-16-10(22)12(24)18(14(16)26)9-19-13(25)11(23)17(15(19)27)6-2-4-8-21/h10-13,20-25H,1-9H2
InChIKeyACZHNUWXHFOSLP-UHFFFAOYSA-N
MW392.41 g/mol
LogP-2.76
Rot. Bonds10

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

1-[[4,5-dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one (PubChem CID 20557117) has the molecular formula C15H28N4O8 and a molecular weight of 392.41 g/mol. Its IUPAC name is 1-[[4,5-dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[[4,5-dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one
PubChem CID20557117
Molecular FormulaC15H28N4O8
Molecular Weight392.41 g/mol
Exact Mass392.19
IUPAC Name1-[[4,5-dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one
SMILESO=C1N(CCCCO)C(O)C(O)N1CN1C(=O)N(CCCCO)C(O)C1O
InChIInChI=1S/C15H28N4O8/c20-7-3-1-5-16-10(22)12(24)18(14(16)26)9-19-13(25)11(23)17(15(19)27)6-2-4-8-21/h10-13,20-25H,1-9H2
InChIKeyACZHNUWXHFOSLP-UHFFFAOYSA-N
XLogP-2.76
TPSA168.48 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 5-2.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4,5-dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one?
The IUPAC name of 1-[[4,5-dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one (CID 20557117) is 1-[[4,5-dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one.
What is the SMILES notation for 1-[[4,5-dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one?
The canonical SMILES for 1-[[4,5-dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one is O=C1N(CCCCO)C(O)C(O)N1CN1C(=O)N(CCCCO)C(O)C1O.
What is the InChIKey of 1-[[4,5-dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one?
The InChIKey is ACZHNUWXHFOSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O8/c20-7-3-1-5-16-10(22)12(24)18(14(16)26)9-19-13(25)11(23)17(15(19)27)6-2-4-8-21/h10-13,20-25H,1-9H2.
What are the key properties of 1-[[4,5-dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one?
1-[[4,5-dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one has a molecular weight of 392.41 g/mol, XLogP of -2.76, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,5-dihydroxy-3-(4-hydroxybutyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(4-hydroxybutyl)imidazolidin-2-one is sourced from PubChem (CID 20557117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).