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

C14H26N4O8 — CID 20557116

IUPAC1-[4-[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one
SMILESO=C1N(CCO)C(O)C(O)N1CCCCN1C(=O)N(CCO)C(O)C1O
InChIInChI=1S/C14H26N4O8/c19-7-5-17-11(23)9(21)15(13(17)25)3-1-2-4-16-10(22)12(24)18(6-8-20)14(16)26/h9-12,19-24H,1-8H2
InChIKeyXNAPUZRQMRCHNL-UHFFFAOYSA-N
MW378.38 g/mol
LogP-3.50
Rot. Bonds9

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

1-[4-[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one (PubChem CID 20557116) has the molecular formula C14H26N4O8 and a molecular weight of 378.38 g/mol. Its IUPAC name is 1-[4-[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one
PubChem CID20557116
Molecular FormulaC14H26N4O8
Molecular Weight378.38 g/mol
Exact Mass378.18
IUPAC Name1-[4-[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one
SMILESO=C1N(CCO)C(O)C(O)N1CCCCN1C(=O)N(CCO)C(O)C1O
InChIInChI=1S/C14H26N4O8/c19-7-5-17-11(23)9(21)15(13(17)25)3-1-2-4-16-10(22)12(24)18(6-8-20)14(16)26/h9-12,19-24H,1-8H2
InChIKeyXNAPUZRQMRCHNL-UHFFFAOYSA-N
XLogP-3.50
TPSA168.48 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.38
LogP ≤ 5-3.50
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-[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one?
The IUPAC name of 1-[4-[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one (CID 20557116) is 1-[4-[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one.
What is the SMILES notation for 1-[4-[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one?
The canonical SMILES for 1-[4-[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one is O=C1N(CCO)C(O)C(O)N1CCCCN1C(=O)N(CCO)C(O)C1O.
What is the InChIKey of 1-[4-[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one?
The InChIKey is XNAPUZRQMRCHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O8/c19-7-5-17-11(23)9(21)15(13(17)25)3-1-2-4-16-10(22)12(24)18(6-8-20)14(16)26/h9-12,19-24H,1-8H2.
What are the key properties of 1-[4-[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one?
1-[4-[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one has a molecular weight of 378.38 g/mol, XLogP of -3.50, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4,5-dihydroxy-3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]butyl]-4,5-dihydroxy-3-(2-hydroxyethyl)imidazolidin-2-one is sourced from PubChem (CID 20557116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).