2-ethenyl-1H-imidazole;phosphoric acid

C5H9N2O4P — CID 157353127

IUPAC2-ethenyl-1H-imidazole;phosphoric acid
SMILESC=Cc1ncc[nH]1.O=P(O)(O)O
InChIInChI=1S/C5H6N2.H3O4P/c1-2-5-6-3-4-7-5;1-5(2,3)4/h2-4H,1H2,(H,6,7);(H3,1,2,3,4)
InChIKeyBHTOJRCUGXASLT-UHFFFAOYSA-N
MW192.11 g/mol
LogP0.12
Rot. Bonds1

About 2-ethenyl-1H-imidazole;phosphoric acid

2-ethenyl-1H-imidazole;phosphoric acid (PubChem CID 157353127) has the molecular formula C5H9N2O4P and a molecular weight of 192.11 g/mol. Its IUPAC name is 2-ethenyl-1H-imidazole;phosphoric acid.

Molecular Properties

Compound Name2-ethenyl-1H-imidazole;phosphoric acid
PubChem CID157353127
Molecular FormulaC5H9N2O4P
Molecular Weight192.11 g/mol
Exact Mass192.03
IUPAC Name2-ethenyl-1H-imidazole;phosphoric acid
SMILESC=Cc1ncc[nH]1.O=P(O)(O)O
InChIInChI=1S/C5H6N2.H3O4P/c1-2-5-6-3-4-7-5;1-5(2,3)4/h2-4H,1H2,(H,6,7);(H3,1,2,3,4)
InChIKeyBHTOJRCUGXASLT-UHFFFAOYSA-N
XLogP0.12
TPSA106.44 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 50.12
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 2-ethenyl-1H-imidazole;phosphoric acid?
The IUPAC name of 2-ethenyl-1H-imidazole;phosphoric acid (CID 157353127) is 2-ethenyl-1H-imidazole;phosphoric acid.
What is the SMILES notation for 2-ethenyl-1H-imidazole;phosphoric acid?
The canonical SMILES for 2-ethenyl-1H-imidazole;phosphoric acid is C=Cc1ncc[nH]1.O=P(O)(O)O.
What is the InChIKey of 2-ethenyl-1H-imidazole;phosphoric acid?
The InChIKey is BHTOJRCUGXASLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.H3O4P/c1-2-5-6-3-4-7-5;1-5(2,3)4/h2-4H,1H2,(H,6,7);(H3,1,2,3,4).
What are the key properties of 2-ethenyl-1H-imidazole;phosphoric acid?
2-ethenyl-1H-imidazole;phosphoric acid has a molecular weight of 192.11 g/mol, XLogP of 0.12, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1H-imidazole;phosphoric acid is sourced from PubChem (CID 157353127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).