2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate

C7H15N2O4P — CID 175037316

IUPAC2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate
SMILESCCOP(=O)(O)O.Cc1cnc(C)[nH]1
InChIInChI=1S/C5H8N2.C2H7O4P/c1-4-3-6-5(2)7-4;1-2-6-7(3,4)5/h3H,1-2H3,(H,6,7);2H2,1H3,(H2,3,4,5)
InChIKeyISOHLLYMOBRJIH-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.14
Rot. Bonds2

About 2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate

2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate (PubChem CID 175037316) has the molecular formula C7H15N2O4P and a molecular weight of 222.18 g/mol. Its IUPAC name is 2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate
PubChem CID175037316
Molecular FormulaC7H15N2O4P
Molecular Weight222.18 g/mol
Exact Mass222.08
IUPAC Name2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate
SMILESCCOP(=O)(O)O.Cc1cnc(C)[nH]1
InChIInChI=1S/C5H8N2.C2H7O4P/c1-4-3-6-5(2)7-4;1-2-6-7(3,4)5/h3H,1-2H3,(H,6,7);2H2,1H3,(H2,3,4,5)
InChIKeyISOHLLYMOBRJIH-UHFFFAOYSA-N
XLogP1.14
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.14
H-Bond Donors ≤ 53
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 2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate?
The IUPAC name of 2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate (CID 175037316) is 2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate.
What is the SMILES notation for 2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate?
The canonical SMILES for 2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate is CCOP(=O)(O)O.Cc1cnc(C)[nH]1.
What is the InChIKey of 2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate?
The InChIKey is ISOHLLYMOBRJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C2H7O4P/c1-4-3-6-5(2)7-4;1-2-6-7(3,4)5/h3H,1-2H3,(H,6,7);2H2,1H3,(H2,3,4,5).
What are the key properties of 2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate?
2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate has a molecular weight of 222.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-imidazole;ethyl dihydrogen phosphate is sourced from PubChem (CID 175037316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).