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

C17H30N6O11 — CID 20561492

IUPAC1,3-bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one
SMILESCOC(C)N1C(=O)N(CN2C(=O)N(CN3C(=O)N(C(C)OC)C(O)C3O)C(O)C2O)C(O)C1O
InChIInChI=1S/C17H30N6O11/c1-7(33-3)22-13(28)11(26)20(16(22)31)5-18-9(24)10(25)19(15(18)30)6-21-12(27)14(29)23(17(21)32)8(2)34-4/h7-14,24-29H,5-6H2,1-4H3
InChIKeyGXGHTBQMIGWIRG-UHFFFAOYSA-N
MW494.46 g/mol
LogP-3.99
Rot. Bonds8

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

1,3-bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one (PubChem CID 20561492) has the molecular formula C17H30N6O11 and a molecular weight of 494.46 g/mol. Its IUPAC name is 1,3-bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one
PubChem CID20561492
Molecular FormulaC17H30N6O11
Molecular Weight494.46 g/mol
Exact Mass494.20
IUPAC Name1,3-bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one
SMILESCOC(C)N1C(=O)N(CN2C(=O)N(CN3C(=O)N(C(C)OC)C(O)C3O)C(O)C2O)C(O)C1O
InChIInChI=1S/C17H30N6O11/c1-7(33-3)22-13(28)11(26)20(16(22)31)5-18-9(24)10(25)19(15(18)30)6-21-12(27)14(29)23(17(21)32)8(2)34-4/h7-14,24-29H,5-6H2,1-4H3
InChIKeyGXGHTBQMIGWIRG-UHFFFAOYSA-N
XLogP-3.99
TPSA210.49 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500494.46
LogP ≤ 5-3.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one?
The IUPAC name of 1,3-bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one (CID 20561492) is 1,3-bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one.
What is the SMILES notation for 1,3-bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one?
The canonical SMILES for 1,3-bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one is COC(C)N1C(=O)N(CN2C(=O)N(CN3C(=O)N(C(C)OC)C(O)C3O)C(O)C2O)C(O)C1O.
What is the InChIKey of 1,3-bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one?
The InChIKey is GXGHTBQMIGWIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O11/c1-7(33-3)22-13(28)11(26)20(16(22)31)5-18-9(24)10(25)19(15(18)30)6-21-12(27)14(29)23(17(21)32)8(2)34-4/h7-14,24-29H,5-6H2,1-4H3.
What are the key properties of 1,3-bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one?
1,3-bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one has a molecular weight of 494.46 g/mol, XLogP of -3.99, 8 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[4,5-dihydroxy-3-(1-methoxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4,5-dihydroxyimidazolidin-2-one is sourced from PubChem (CID 20561492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).