imidazol-1-yl(methyl)phosphinic acid

C4H7N2O2P — CID 59000467

IUPACimidazol-1-yl(methyl)phosphinic acid
SMILESCP(=O)(O)n1ccnc1
InChIInChI=1S/C4H7N2O2P/c1-9(7,8)6-3-2-5-4-6/h2-4H,1H3,(H,7,8)
InChIKeyCOKTXFNBXFLKGE-UHFFFAOYSA-N
MW146.09 g/mol
LogP0.55
Rot. Bonds1

About imidazol-1-yl(methyl)phosphinic acid

imidazol-1-yl(methyl)phosphinic acid (PubChem CID 59000467) has the molecular formula C4H7N2O2P and a molecular weight of 146.09 g/mol. Its IUPAC name is imidazol-1-yl(methyl)phosphinic acid.

Molecular Properties

Compound Nameimidazol-1-yl(methyl)phosphinic acid
PubChem CID59000467
Molecular FormulaC4H7N2O2P
Molecular Weight146.09 g/mol
Exact Mass146.02
IUPAC Nameimidazol-1-yl(methyl)phosphinic acid
SMILESCP(=O)(O)n1ccnc1
InChIInChI=1S/C4H7N2O2P/c1-9(7,8)6-3-2-5-4-6/h2-4H,1H3,(H,7,8)
InChIKeyCOKTXFNBXFLKGE-UHFFFAOYSA-N
XLogP0.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.09
LogP ≤ 50.55
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 imidazol-1-yl(methyl)phosphinic acid?
The IUPAC name of imidazol-1-yl(methyl)phosphinic acid (CID 59000467) is imidazol-1-yl(methyl)phosphinic acid.
What is the SMILES notation for imidazol-1-yl(methyl)phosphinic acid?
The canonical SMILES for imidazol-1-yl(methyl)phosphinic acid is CP(=O)(O)n1ccnc1.
What is the InChIKey of imidazol-1-yl(methyl)phosphinic acid?
The InChIKey is COKTXFNBXFLKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N2O2P/c1-9(7,8)6-3-2-5-4-6/h2-4H,1H3,(H,7,8).
What are the key properties of imidazol-1-yl(methyl)phosphinic acid?
imidazol-1-yl(methyl)phosphinic acid has a molecular weight of 146.09 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl(methyl)phosphinic acid is sourced from PubChem (CID 59000467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).