1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea

C8H18N4O7 — CID 57202622

IUPAC1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea
SMILESO=C(NCO)N(CO)C1C(O)N(CO)C(O)N1CO
InChIInChI=1S/C8H18N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5-6,8,13-17,19H,1-4H2,(H,9,18)
InChIKeyHUUUYWJVBGYYGG-UHFFFAOYSA-N
MW282.25 g/mol
LogP-4.66
Rot. Bonds5

About 1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea

1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea (PubChem CID 57202622) has the molecular formula C8H18N4O7 and a molecular weight of 282.25 g/mol. Its IUPAC name is 1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea.

Molecular Properties

Compound Name1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea
PubChem CID57202622
Molecular FormulaC8H18N4O7
Molecular Weight282.25 g/mol
Exact Mass282.12
IUPAC Name1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea
SMILESO=C(NCO)N(CO)C1C(O)N(CO)C(O)N1CO
InChIInChI=1S/C8H18N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5-6,8,13-17,19H,1-4H2,(H,9,18)
InChIKeyHUUUYWJVBGYYGG-UHFFFAOYSA-N
XLogP-4.66
TPSA160.20 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.25
LogP ≤ 5-4.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea?
The IUPAC name of 1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea (CID 57202622) is 1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea.
What is the SMILES notation for 1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea?
The canonical SMILES for 1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea is O=C(NCO)N(CO)C1C(O)N(CO)C(O)N1CO.
What is the InChIKey of 1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea?
The InChIKey is HUUUYWJVBGYYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5-6,8,13-17,19H,1-4H2,(H,9,18).
What are the key properties of 1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea?
1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea has a molecular weight of 282.25 g/mol, XLogP of -4.66, 5 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea is sourced from PubChem (CID 57202622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).