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

C13H24N4O8 — CID 20557110

IUPAC1-[[4,5-dihydroxy-3-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one
SMILESO=C1N(CCCO)C(O)C(O)N1CN1C(=O)N(CCCO)C(O)C1O
InChIInChI=1S/C13H24N4O8/c18-5-1-3-14-8(20)10(22)16(12(14)24)7-17-11(23)9(21)15(13(17)25)4-2-6-19/h8-11,18-23H,1-7H2
InChIKeyDTVBBYBPUQDWTH-UHFFFAOYSA-N
MW364.36 g/mol
LogP-3.54
Rot. Bonds8

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

1-[[4,5-dihydroxy-3-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one (PubChem CID 20557110) has the molecular formula C13H24N4O8 and a molecular weight of 364.36 g/mol. Its IUPAC name is 1-[[4,5-dihydroxy-3-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[[4,5-dihydroxy-3-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one
PubChem CID20557110
Molecular FormulaC13H24N4O8
Molecular Weight364.36 g/mol
Exact Mass364.16
IUPAC Name1-[[4,5-dihydroxy-3-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one
SMILESO=C1N(CCCO)C(O)C(O)N1CN1C(=O)N(CCCO)C(O)C1O
InChIInChI=1S/C13H24N4O8/c18-5-1-3-14-8(20)10(22)16(12(14)24)7-17-11(23)9(21)15(13(17)25)4-2-6-19/h8-11,18-23H,1-7H2
InChIKeyDTVBBYBPUQDWTH-UHFFFAOYSA-N
XLogP-3.54
TPSA168.48 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.36
LogP ≤ 5-3.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[4,5-dihydroxy-3-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one?
The IUPAC name of 1-[[4,5-dihydroxy-3-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one (CID 20557110) is 1-[[4,5-dihydroxy-3-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one.
What is the SMILES notation for 1-[[4,5-dihydroxy-3-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one?
The canonical SMILES for 1-[[4,5-dihydroxy-3-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one is O=C1N(CCCO)C(O)C(O)N1CN1C(=O)N(CCCO)C(O)C1O.
What is the InChIKey of 1-[[4,5-dihydroxy-3-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one?
The InChIKey is DTVBBYBPUQDWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O8/c18-5-1-3-14-8(20)10(22)16(12(14)24)7-17-11(23)9(21)15(13(17)25)4-2-6-19/h8-11,18-23H,1-7H2.
What are the key properties of 1-[[4,5-dihydroxy-3-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one?
1-[[4,5-dihydroxy-3-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one has a molecular weight of 364.36 g/mol, XLogP of -3.54, 8 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-(3-hydroxypropyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxy-3-(3-hydroxypropyl)imidazolidin-2-one is sourced from PubChem (CID 20557110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).