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

C9H16N4O6 — CID 20557106

IUPAC1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CN2C(=O)N(C)C(O)C2O)C(O)C1O
InChIInChI=1S/C9H16N4O6/c1-10-4(14)6(16)12(8(10)18)3-13-7(17)5(15)11(2)9(13)19/h4-7,14-17H,3H2,1-2H3
InChIKeyJYXHDSBYBRDBGH-UHFFFAOYSA-N
MW276.25 g/mol
LogP-3.05
Rot. Bonds2

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

1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one (PubChem CID 20557106) has the molecular formula C9H16N4O6 and a molecular weight of 276.25 g/mol. Its IUPAC name is 1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one
PubChem CID20557106
Molecular FormulaC9H16N4O6
Molecular Weight276.25 g/mol
Exact Mass276.11
IUPAC Name1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CN2C(=O)N(C)C(O)C2O)C(O)C1O
InChIInChI=1S/C9H16N4O6/c1-10-4(14)6(16)12(8(10)18)3-13-7(17)5(15)11(2)9(13)19/h4-7,14-17H,3H2,1-2H3
InChIKeyJYXHDSBYBRDBGH-UHFFFAOYSA-N
XLogP-3.05
TPSA128.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-3.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4,5-dihydroxy-2-oxo-3-propan-2-ylimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-propan-2-ylimidazolidin-2-one
CID 20557127
(3aS,6aR)-3,4,6-tris(hydroxymethyl)-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 1254938
(3aS,6aR)-4-[2-[(3aS,6aS)-1,3,6-trimethyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-4-yl]ethyl]-1,3,6-trimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 124894058
1,3-bis(2,2-dihydroxyethyl)-4,5-dihydroxyimidazolidin-2-one
CID 21219852
4,5-dihydroxy-1-(hydroxymethyl)-3-methoxyimidazolidin-2-one
CID 89213333
4,5-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one
CID 70257866
1-ethyl-3,5-dihydroxyimidazolidine-2,4-dione
CID 66586311
1,3-dimethyl-4-oxo-1,3-diazetidine-2-carbaldehyde
CID 163948351
(2S,3S)-2,3-dihydroxy-1-methyl-2,3-dihydropyridin-6-one
CID 11159377
(5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione
CID 131118895
4,5-dihydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
CID 118197377
(3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 938527

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one (CID 20557106) is 1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one is CN1C(=O)N(CN2C(=O)N(C)C(O)C2O)C(O)C1O.
What is the InChIKey of 1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one?
The InChIKey is JYXHDSBYBRDBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O6/c1-10-4(14)6(16)12(8(10)18)3-13-7(17)5(15)11(2)9(13)19/h4-7,14-17H,3H2,1-2H3.
What are the key properties of 1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one?
1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one has a molecular weight of 276.25 g/mol, XLogP of -3.05, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one is sourced from PubChem (CID 20557106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).