1H-imidazol-5-ylphosphonic acid

C3H5N2O3P — CID 19742813

IUPAC1H-imidazol-5-ylphosphonic acid
SMILESO=P(O)(O)c1cnc[nH]1
InChIInChI=1S/C3H5N2O3P/c6-9(7,8)3-1-4-2-5-3/h1-2H,(H,4,5)(H2,6,7,8)
InChIKeyNAKCIQHTCFYICA-UHFFFAOYSA-N
MW148.06 g/mol
LogP-0.79
Rot. Bonds1

About 1H-imidazol-5-ylphosphonic acid

1H-imidazol-5-ylphosphonic acid (PubChem CID 19742813) has the molecular formula C3H5N2O3P and a molecular weight of 148.06 g/mol. Its IUPAC name is 1H-imidazol-5-ylphosphonic acid.

Molecular Properties

Compound Name1H-imidazol-5-ylphosphonic acid
PubChem CID19742813
Molecular FormulaC3H5N2O3P
Molecular Weight148.06 g/mol
Exact Mass148.00
IUPAC Name1H-imidazol-5-ylphosphonic acid
SMILESO=P(O)(O)c1cnc[nH]1
InChIInChI=1S/C3H5N2O3P/c6-9(7,8)3-1-4-2-5-3/h1-2H,(H,4,5)(H2,6,7,8)
InChIKeyNAKCIQHTCFYICA-UHFFFAOYSA-N
XLogP-0.79
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.06
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1H-imidazol-5-ylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-ylphosphonic acid?
The IUPAC name of 1H-imidazol-5-ylphosphonic acid (CID 19742813) is 1H-imidazol-5-ylphosphonic acid.
What is the SMILES notation for 1H-imidazol-5-ylphosphonic acid?
The canonical SMILES for 1H-imidazol-5-ylphosphonic acid is O=P(O)(O)c1cnc[nH]1.
What is the InChIKey of 1H-imidazol-5-ylphosphonic acid?
The InChIKey is NAKCIQHTCFYICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N2O3P/c6-9(7,8)3-1-4-2-5-3/h1-2H,(H,4,5)(H2,6,7,8).
What are the key properties of 1H-imidazol-5-ylphosphonic acid?
1H-imidazol-5-ylphosphonic acid has a molecular weight of 148.06 g/mol, XLogP of -0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-ylphosphonic acid is sourced from PubChem (CID 19742813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).