2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine

C5H9N5O2 — CID 139220802

IUPAC2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine
SMILESNC(N)=NC1=NC(CO)C(=O)N1
InChIInChI=1S/C5H9N5O2/c6-4(7)10-5-8-2(1-11)3(12)9-5/h2,11H,1H2,(H5,6,7,8,9,10,12)
InChIKeyHRHSJMOTXVPPHP-UHFFFAOYSA-N
MW171.16 g/mol
LogP-2.89
Rot. Bonds1

About 2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine

2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine (PubChem CID 139220802) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine
PubChem CID139220802
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine
SMILESNC(N)=NC1=NC(CO)C(=O)N1
InChIInChI=1S/C5H9N5O2/c6-4(7)10-5-8-2(1-11)3(12)9-5/h2,11H,1H2,(H5,6,7,8,9,10,12)
InChIKeyHRHSJMOTXVPPHP-UHFFFAOYSA-N
XLogP-2.89
TPSA126.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-2.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine?
The IUPAC name of 2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine (CID 139220802) is 2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine is NC(N)=NC1=NC(CO)C(=O)N1.
What is the InChIKey of 2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine?
The InChIKey is HRHSJMOTXVPPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c6-4(7)10-5-8-2(1-11)3(12)9-5/h2,11H,1H2,(H5,6,7,8,9,10,12).
What are the key properties of 2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine?
2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine has a molecular weight of 171.16 g/mol, XLogP of -2.89, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-5-oxo-1,4-dihydroimidazol-2-yl]guanidine is sourced from PubChem (CID 139220802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).