Phosphoimidazole

C3H3N2O2P — CID 57348866

IUPAC—
SMILESO=P(=O)c1ncc[nH]1
InChIInChI=1S/C3H3N2O2P/c6-8(7)3-4-1-2-5-3/h1-2H,(H,4,5)
InChIKeyXJESWGVNKIOLOL-UHFFFAOYSA-N
MW130.04 g/mol
LogP0.21
Rot. Bonds1

About Phosphoimidazole

Phosphoimidazole (PubChem CID 57348866) has the molecular formula C3H3N2O2P and a molecular weight of 130.04 g/mol.

Molecular Properties

Compound NamePhosphoimidazole
PubChem CID57348866
Molecular FormulaC3H3N2O2P
Molecular Weight130.04 g/mol
Exact Mass129.99
IUPAC Name—
SMILESO=P(=O)c1ncc[nH]1
InChIInChI=1S/C3H3N2O2P/c6-8(7)3-4-1-2-5-3/h1-2H,(H,4,5)
InChIKeyXJESWGVNKIOLOL-UHFFFAOYSA-N
XLogP0.21
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.04
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Phosphoimidazole?
The IUPAC name of Phosphoimidazole (CID 57348866) is not available.
What is the SMILES notation for Phosphoimidazole?
The canonical SMILES for Phosphoimidazole is O=P(=O)c1ncc[nH]1.
What is the InChIKey of Phosphoimidazole?
The InChIKey is XJESWGVNKIOLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N2O2P/c6-8(7)3-4-1-2-5-3/h1-2H,(H,4,5).
What are the key properties of Phosphoimidazole?
Phosphoimidazole has a molecular weight of 130.04 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Phosphoimidazole is sourced from PubChem (CID 57348866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).