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

C15H28N4O6 — CID 20557113

IUPAC1-butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one
SMILESCCCCN1C(=O)N(CN2C(=O)N(CCCC)C(O)C2O)C(O)C1O
InChIInChI=1S/C15H28N4O6/c1-3-5-7-16-10(20)12(22)18(14(16)24)9-19-13(23)11(21)17(15(19)25)8-6-4-2/h10-13,20-23H,3-9H2,1-2H3
InChIKeyODGNDWHHWORFPG-UHFFFAOYSA-N
MW360.41 g/mol
LogP-0.71
Rot. Bonds8

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

1-butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one (PubChem CID 20557113) has the molecular formula C15H28N4O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one.

Molecular Properties

Compound Name1-butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one
PubChem CID20557113
Molecular FormulaC15H28N4O6
Molecular Weight360.41 g/mol
Exact Mass360.20
IUPAC Name1-butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one
SMILESCCCCN1C(=O)N(CN2C(=O)N(CCCC)C(O)C2O)C(O)C1O
InChIInChI=1S/C15H28N4O6/c1-3-5-7-16-10(20)12(22)18(14(16)24)9-19-13(23)11(21)17(15(19)25)8-6-4-2/h10-13,20-23H,3-9H2,1-2H3
InChIKeyODGNDWHHWORFPG-UHFFFAOYSA-N
XLogP-0.71
TPSA128.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one?
The IUPAC name of 1-butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one (CID 20557113) is 1-butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one.
What is the SMILES notation for 1-butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one?
The canonical SMILES for 1-butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one is CCCCN1C(=O)N(CN2C(=O)N(CCCC)C(O)C2O)C(O)C1O.
What is the InChIKey of 1-butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one?
The InChIKey is ODGNDWHHWORFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O6/c1-3-5-7-16-10(20)12(22)18(14(16)24)9-19-13(23)11(21)17(15(19)25)8-6-4-2/h10-13,20-23H,3-9H2,1-2H3.
What are the key properties of 1-butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one?
1-butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one has a molecular weight of 360.41 g/mol, XLogP of -0.71, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(3-butyl-4,5-dihydroxy-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxyimidazolidin-2-one is sourced from PubChem (CID 20557113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).