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

C13H24N4O6 — CID 20557127

IUPAC1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1C(=O)N(CN2C(=O)N(C(C)C)C(O)C2O)C(O)C1O
InChIInChI=1S/C13H24N4O6/c1-6(2)16-10(20)8(18)14(12(16)22)5-15-9(19)11(21)17(7(3)4)13(15)23/h6-11,18-21H,5H2,1-4H3
InChIKeyPGZLCEPPJZWSLR-UHFFFAOYSA-N
MW332.36 g/mol
LogP-1.49
Rot. Bonds4

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

1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one (PubChem CID 20557127) has the molecular formula C13H24N4O6 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one
PubChem CID20557127
Molecular FormulaC13H24N4O6
Molecular Weight332.36 g/mol
Exact Mass332.17
IUPAC Name1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1C(=O)N(CN2C(=O)N(C(C)C)C(O)C2O)C(O)C1O
InChIInChI=1S/C13H24N4O6/c1-6(2)16-10(20)8(18)14(12(16)22)5-15-9(19)11(21)17(7(3)4)13(15)23/h6-11,18-21H,5H2,1-4H3
InChIKeyPGZLCEPPJZWSLR-UHFFFAOYSA-N
XLogP-1.49
TPSA128.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-[[4,5-Dihydroxy-2-oxo-3-(propoxymethyl)imidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(propoxymethyl)imidazolidin-2-one
CID 20561491
1,3-Bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one
CID 20561492

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one (CID 20557127) is 1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one is CC(C)N1C(=O)N(CN2C(=O)N(C(C)C)C(O)C2O)C(O)C1O.
What is the InChIKey of 1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one?
The InChIKey is PGZLCEPPJZWSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O6/c1-6(2)16-10(20)8(18)14(12(16)22)5-15-9(19)11(21)17(7(3)4)13(15)23/h6-11,18-21H,5H2,1-4H3.
What are the key properties of 1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one?
1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one has a molecular weight of 332.36 g/mol, XLogP of -1.49, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 20557127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).