(2,5-dioxoimidazolidin-4-yl)urea

C4H6N4O3 — CID 204

💊View drug profile → allantoin
IUPAC(2,5-dioxoimidazolidin-4-yl)urea
SMILESNC(=O)NC1NC(=O)NC1=O
InChIInChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
InChIKeyPOJWUDADGALRAB-UHFFFAOYSA-N
MW158.12 g/mol
LogP-2.18
Rot. Bonds1

About (2,5-dioxoimidazolidin-4-yl)urea

(2,5-dioxoimidazolidin-4-yl)urea (PubChem CID 204) has the molecular formula C4H6N4O3 and a molecular weight of 158.12 g/mol. Its IUPAC name is (2,5-dioxoimidazolidin-4-yl)urea.

Molecular Properties

Compound Name(2,5-dioxoimidazolidin-4-yl)urea
PubChem CID204
Molecular FormulaC4H6N4O3
Molecular Weight158.12 g/mol
Exact Mass158.04
IUPAC Name(2,5-dioxoimidazolidin-4-yl)urea
SMILESNC(=O)NC1NC(=O)NC1=O
InChIInChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
InChIKeyPOJWUDADGALRAB-UHFFFAOYSA-N
XLogP-2.18
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methylhydantoin
CID 69217
Hydantoin
CID 10006
Allantoin, (R)-
CID 439713
(S)-(+)-allantoin
CID 439714
1-Ethylimidazolidine-2,4,5-trione
CID 3301639
5-Methylhydantoin
CID 69216
2,4-Imidazolidinedione, 3-methyl-
CID 138851
N-Acetylimidazolidinone
CID 79350
L-5-methylhydantoin
CID 6419931
3-Ethylimidazolidine-2,4-dione
CID 13258388
3,6,8-Trimethylallantoin
CID 181740
5-Guanidinohydantoin
CID 45071972

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxoimidazolidin-4-yl)urea?
The IUPAC name of (2,5-dioxoimidazolidin-4-yl)urea (CID 204) is (2,5-dioxoimidazolidin-4-yl)urea.
What is the SMILES notation for (2,5-dioxoimidazolidin-4-yl)urea?
The canonical SMILES for (2,5-dioxoimidazolidin-4-yl)urea is NC(=O)NC1NC(=O)NC1=O.
What is the InChIKey of (2,5-dioxoimidazolidin-4-yl)urea?
The InChIKey is POJWUDADGALRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11).
What are the key properties of (2,5-dioxoimidazolidin-4-yl)urea?
(2,5-dioxoimidazolidin-4-yl)urea has a molecular weight of 158.12 g/mol, XLogP of -2.18, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxoimidazolidin-4-yl)urea is sourced from PubChem (CID 204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).