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

C4H7N5O2 — CID 45071972

IUPAC2-(2,5-dioxoimidazolidin-4-yl)guanidine
SMILESNC(N)=NC1NC(=O)NC1=O
InChIInChI=1S/C4H7N5O2/c5-3(6)7-1-2(10)9-4(11)8-1/h1H,(H4,5,6,7)(H2,8,9,10,11)
InChIKeyAVOMHQCKYPXFNU-UHFFFAOYSA-N
MW157.13 g/mol
LogP-2.57
Rot. Bonds1

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

2-(2,5-dioxoimidazolidin-4-yl)guanidine (PubChem CID 45071972) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-4-yl)guanidine.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-4-yl)guanidine
PubChem CID45071972
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC Name2-(2,5-dioxoimidazolidin-4-yl)guanidine
SMILESNC(N)=NC1NC(=O)NC1=O
InChIInChI=1S/C4H7N5O2/c5-3(6)7-1-2(10)9-4(11)8-1/h1H,(H4,5,6,7)(H2,8,9,10,11)
InChIKeyAVOMHQCKYPXFNU-UHFFFAOYSA-N
XLogP-2.57
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)guanidine?
The IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)guanidine (CID 45071972) is 2-(2,5-dioxoimidazolidin-4-yl)guanidine.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-4-yl)guanidine?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-4-yl)guanidine is NC(N)=NC1NC(=O)NC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-4-yl)guanidine?
The InChIKey is AVOMHQCKYPXFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c5-3(6)7-1-2(10)9-4(11)8-1/h1H,(H4,5,6,7)(H2,8,9,10,11).
What are the key properties of 2-(2,5-dioxoimidazolidin-4-yl)guanidine?
2-(2,5-dioxoimidazolidin-4-yl)guanidine has a molecular weight of 157.13 g/mol, XLogP of -2.57, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-4-yl)guanidine is sourced from PubChem (CID 45071972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).