5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid

C8H17N2O3P — CID 175266048

IUPAC5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid
SMILESCCc1cnc(C)[nH]1.COP(C)(=O)O
InChIInChI=1S/C6H10N2.C2H7O3P/c1-3-6-4-7-5(2)8-6;1-5-6(2,3)4/h4H,3H2,1-2H3,(H,7,8);1-2H3,(H,3,4)
InChIKeyXAKGOSVOZACSQX-UHFFFAOYSA-N
MW220.21 g/mol
LogP1.73
Rot. Bonds2

About 5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid

5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid (PubChem CID 175266048) has the molecular formula C8H17N2O3P and a molecular weight of 220.21 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid.

Molecular Properties

Compound Name5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid
PubChem CID175266048
Molecular FormulaC8H17N2O3P
Molecular Weight220.21 g/mol
Exact Mass220.10
IUPAC Name5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid
SMILESCCc1cnc(C)[nH]1.COP(C)(=O)O
InChIInChI=1S/C6H10N2.C2H7O3P/c1-3-6-4-7-5(2)8-6;1-5-6(2,3)4/h4H,3H2,1-2H3,(H,7,8);1-2H3,(H,3,4)
InChIKeyXAKGOSVOZACSQX-UHFFFAOYSA-N
XLogP1.73
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.73
H-Bond Donors ≤ 52
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 5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid?
The IUPAC name of 5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid (CID 175266048) is 5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid.
What is the SMILES notation for 5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid?
The canonical SMILES for 5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid is CCc1cnc(C)[nH]1.COP(C)(=O)O.
What is the InChIKey of 5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid?
The InChIKey is XAKGOSVOZACSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C2H7O3P/c1-3-6-4-7-5(2)8-6;1-5-6(2,3)4/h4H,3H2,1-2H3,(H,7,8);1-2H3,(H,3,4).
What are the key properties of 5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid?
5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid has a molecular weight of 220.21 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid is sourced from PubChem (CID 175266048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).