[3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea

C6H10N4O5 — CID 123268099

IUPAC[3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea
SMILESNC(=O)NC1(CO)C(=O)NC(=O)N1CO
InChIInChI=1S/C6H10N4O5/c7-4(14)9-6(1-11)3(13)8-5(15)10(6)2-12/h11-12H,1-2H2,(H3,7,9,14)(H,8,13,15)
InChIKeyRBQPFYQWQWRSPC-UHFFFAOYSA-N
MW218.17 g/mol
LogP-3.16
Rot. Bonds3

About [3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea

[3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea (PubChem CID 123268099) has the molecular formula C6H10N4O5 and a molecular weight of 218.17 g/mol. Its IUPAC name is [3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea.

Molecular Properties

Compound Name[3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea
PubChem CID123268099
Molecular FormulaC6H10N4O5
Molecular Weight218.17 g/mol
Exact Mass218.07
IUPAC Name[3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea
SMILESNC(=O)NC1(CO)C(=O)NC(=O)N1CO
InChIInChI=1S/C6H10N4O5/c7-4(14)9-6(1-11)3(13)8-5(15)10(6)2-12/h11-12H,1-2H2,(H3,7,9,14)(H,8,13,15)
InChIKeyRBQPFYQWQWRSPC-UHFFFAOYSA-N
XLogP-3.16
TPSA144.99 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 5-3.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea?
The IUPAC name of [3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea (CID 123268099) is [3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea.
What is the SMILES notation for [3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea?
The canonical SMILES for [3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea is NC(=O)NC1(CO)C(=O)NC(=O)N1CO.
What is the InChIKey of [3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea?
The InChIKey is RBQPFYQWQWRSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O5/c7-4(14)9-6(1-11)3(13)8-5(15)10(6)2-12/h11-12H,1-2H2,(H3,7,9,14)(H,8,13,15).
What are the key properties of [3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea?
[3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea has a molecular weight of 218.17 g/mol, XLogP of -3.16, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea is sourced from PubChem (CID 123268099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).