4,5-dihydro-1H-imidazol-5-ylphosphonic acid

C3H7N2O3P — CID 154514945

IUPAC4,5-dihydro-1H-imidazol-5-ylphosphonic acid
SMILESO=P(O)(O)C1CN=CN1
InChIInChI=1S/C3H7N2O3P/c6-9(7,8)3-1-4-2-5-3/h2-3H,1H2,(H,4,5)(H2,6,7,8)
InChIKeyRLOUXUVNRFTODT-UHFFFAOYSA-N
MW150.07 g/mol
LogP-0.88
Rot. Bonds1

About 4,5-dihydro-1H-imidazol-5-ylphosphonic acid

4,5-dihydro-1H-imidazol-5-ylphosphonic acid (PubChem CID 154514945) has the molecular formula C3H7N2O3P and a molecular weight of 150.07 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-5-ylphosphonic acid.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-5-ylphosphonic acid
PubChem CID154514945
Molecular FormulaC3H7N2O3P
Molecular Weight150.07 g/mol
Exact Mass150.02
IUPAC Name4,5-dihydro-1H-imidazol-5-ylphosphonic acid
SMILESO=P(O)(O)C1CN=CN1
InChIInChI=1S/C3H7N2O3P/c6-9(7,8)3-1-4-2-5-3/h2-3H,1H2,(H,4,5)(H2,6,7,8)
InChIKeyRLOUXUVNRFTODT-UHFFFAOYSA-N
XLogP-0.88
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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phosphono dihydrogen phosphate;tellane
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hafnium;phosphono dihydrogen phosphate
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phosphono dihydrogen phosphate;silver
CID 131872547
dialuminum;phosphono dihydrogen phosphate
CID 175801807
piperidin-2-ylphosphonic acid
CID 2785326
[(2S)-piperidin-2-yl]phosphonic acid
CID 11829783
pyrrolidin-2-ylphosphonic acid;hydrate
CID 168869998
(5-sulfanylidenepyrrolidin-2-yl)phosphonic acid
CID 22644558
manganese;phosphono dihydrogen phosphate;phosphoric acid
CID 174967015
copper;phosphono dihydrogen phosphate;phosphoric acid
CID 173436835
pentacalcium;hydride;phosphono dihydrogen phosphate
CID 173269234

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazol-5-ylphosphonic acid?
The IUPAC name of 4,5-dihydro-1H-imidazol-5-ylphosphonic acid (CID 154514945) is 4,5-dihydro-1H-imidazol-5-ylphosphonic acid.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-5-ylphosphonic acid?
The canonical SMILES for 4,5-dihydro-1H-imidazol-5-ylphosphonic acid is O=P(O)(O)C1CN=CN1.
What is the InChIKey of 4,5-dihydro-1H-imidazol-5-ylphosphonic acid?
The InChIKey is RLOUXUVNRFTODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N2O3P/c6-9(7,8)3-1-4-2-5-3/h2-3H,1H2,(H,4,5)(H2,6,7,8).
What are the key properties of 4,5-dihydro-1H-imidazol-5-ylphosphonic acid?
4,5-dihydro-1H-imidazol-5-ylphosphonic acid has a molecular weight of 150.07 g/mol, XLogP of -0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-5-ylphosphonic acid is sourced from PubChem (CID 154514945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).