1H-imidazole;phosphoric acid

C3H7N2O4P — CID 22065567

IUPAC1H-imidazole;phosphoric acid
SMILESO=P(O)(O)O.c1c[nH]cn1
InChIInChI=1S/C3H4N2.H3O4P/c1-2-5-3-4-1;1-5(2,3)4/h1-3H,(H,4,5);(H3,1,2,3,4)
InChIKeyLPXDNEQTGPFOPF-UHFFFAOYSA-N
MW166.07 g/mol
LogP-0.52
Rot. Bonds

About 1H-imidazole;phosphoric acid

1H-imidazole;phosphoric acid (PubChem CID 22065567) has the molecular formula C3H7N2O4P and a molecular weight of 166.07 g/mol. Its IUPAC name is 1H-imidazole;phosphoric acid.

Molecular Properties

Compound Name1H-imidazole;phosphoric acid
PubChem CID22065567
Molecular FormulaC3H7N2O4P
Molecular Weight166.07 g/mol
Exact Mass166.01
IUPAC Name1H-imidazole;phosphoric acid
SMILESO=P(O)(O)O.c1c[nH]cn1
InChIInChI=1S/C3H4N2.H3O4P/c1-2-5-3-4-1;1-5(2,3)4/h1-3H,(H,4,5);(H3,1,2,3,4)
InChIKeyLPXDNEQTGPFOPF-UHFFFAOYSA-N
XLogP-0.52
TPSA106.44 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.07
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;phosphoric acid?
The IUPAC name of 1H-imidazole;phosphoric acid (CID 22065567) is 1H-imidazole;phosphoric acid.
What is the SMILES notation for 1H-imidazole;phosphoric acid?
The canonical SMILES for 1H-imidazole;phosphoric acid is O=P(O)(O)O.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;phosphoric acid?
The InChIKey is LPXDNEQTGPFOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.H3O4P/c1-2-5-3-4-1;1-5(2,3)4/h1-3H,(H,4,5);(H3,1,2,3,4).
What are the key properties of 1H-imidazole;phosphoric acid?
1H-imidazole;phosphoric acid has a molecular weight of 166.07 g/mol, XLogP of -0.52, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;phosphoric acid is sourced from PubChem (CID 22065567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).