2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine

C5H10N6O — CID 177467852

IUPAC2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine
SMILES[H]/N=C1\NC(=O)C(CN=C(N)N)N1
InChIInChI=1S/C5H10N6O/c6-4(7)9-1-2-3(12)11-5(8)10-2/h2H,1H2,(H4,6,7,9)(H3,8,10,11,12)
InChIKeyUBLLSONJMHBMEH-UHFFFAOYSA-N
MW170.18 g/mol
LogP-2.72
Rot. Bonds2

About 2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine

2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine (PubChem CID 177467852) has the molecular formula C5H10N6O and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine
PubChem CID177467852
Molecular FormulaC5H10N6O
Molecular Weight170.18 g/mol
Exact Mass170.09
IUPAC Name2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine
SMILES[H]/N=C1\NC(=O)C(CN=C(N)N)N1
InChIInChI=1S/C5H10N6O/c6-4(7)9-1-2-3(12)11-5(8)10-2/h2H,1H2,(H4,6,7,9)(H3,8,10,11,12)
InChIKeyUBLLSONJMHBMEH-UHFFFAOYSA-N
XLogP-2.72
TPSA129.38 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-imino-5-oxoimidazolidin-4-yl)methyl]guanidine?
The IUPAC name of 2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine (CID 177467852) is 2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine.
What is the SMILES notation for 2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine?
The canonical SMILES for 2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine is [H]/N=C1\NC(=O)C(CN=C(N)N)N1.
What is the InChIKey of 2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine?
The InChIKey is UBLLSONJMHBMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O/c6-4(7)9-1-2-3(12)11-5(8)10-2/h2H,1H2,(H4,6,7,9)(H3,8,10,11,12).
What are the key properties of 2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine?
2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine has a molecular weight of 170.18 g/mol, XLogP of -2.72, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-imino-5-oxoimidazolidin-4-yl)methyl]guanidine is sourced from PubChem (CID 177467852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).