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

C13H22N6O7 — CID 20557123

IUPAC1-[[3-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CN2CCN(CN3C(=O)N(C)C(O)C3O)C2=O)C(O)C1O
InChIInChI=1S/C13H22N6O7/c1-14-7(20)9(22)18(11(14)24)5-16-3-4-17(13(16)26)6-19-10(23)8(21)15(2)12(19)25/h7-10,20-23H,3-6H2,1-2H3
InChIKeyNIDQVSJPMYXEBR-UHFFFAOYSA-N
MW374.35 g/mol
LogP-3.35
Rot. Bonds4

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

1-[[3-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one (PubChem CID 20557123) has the molecular formula C13H22N6O7 and a molecular weight of 374.35 g/mol. Its IUPAC name is 1-[[3-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[[3-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one
PubChem CID20557123
Molecular FormulaC13H22N6O7
Molecular Weight374.35 g/mol
Exact Mass374.15
IUPAC Name1-[[3-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CN2CCN(CN3C(=O)N(C)C(O)C3O)C2=O)C(O)C1O
InChIInChI=1S/C13H22N6O7/c1-14-7(20)9(22)18(11(14)24)5-16-3-4-17(13(16)26)6-19-10(23)8(21)15(2)12(19)25/h7-10,20-23H,3-6H2,1-2H3
InChIKeyNIDQVSJPMYXEBR-UHFFFAOYSA-N
XLogP-3.35
TPSA151.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 5-3.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one?
The IUPAC name of 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) is 1-[[3-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[[3-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[[3-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one is CN1C(=O)N(CN2CCN(CN3C(=O)N(C)C(O)C3O)C2=O)C(O)C1O.
What is the InChIKey of 1-[[3-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one?
The InChIKey is NIDQVSJPMYXEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O7/c1-14-7(20)9(22)18(11(14)24)5-16-3-4-17(13(16)26)6-19-10(23)8(21)15(2)12(19)25/h7-10,20-23H,3-6H2,1-2H3.
What are the key properties of 1-[[3-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one?
1-[[3-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one has a molecular weight of 374.35 g/mol, XLogP of -3.35, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one is sourced from PubChem (CID 20557123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).