2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid

C7H15N2O3P — CID 88806908

IUPAC2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)CCN1C=NCC1
InChIInChI=1S/C7H15N2O3P/c1-2-12-13(10,11)6-5-9-4-3-8-7-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyUBJWFTRLPDJBJR-UHFFFAOYSA-N
MW206.18 g/mol
LogP0.55
Rot. Bonds5

About 2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid

2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid (PubChem CID 88806908) has the molecular formula C7H15N2O3P and a molecular weight of 206.18 g/mol. Its IUPAC name is 2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid.

Molecular Properties

Compound Name2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid
PubChem CID88806908
Molecular FormulaC7H15N2O3P
Molecular Weight206.18 g/mol
Exact Mass206.08
IUPAC Name2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)CCN1C=NCC1
InChIInChI=1S/C7H15N2O3P/c1-2-12-13(10,11)6-5-9-4-3-8-7-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyUBJWFTRLPDJBJR-UHFFFAOYSA-N
XLogP0.55
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid?
The IUPAC name of 2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid (CID 88806908) is 2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid.
What is the SMILES notation for 2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid?
The canonical SMILES for 2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid is CCOP(=O)(O)CCN1C=NCC1.
What is the InChIKey of 2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid?
The InChIKey is UBJWFTRLPDJBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O3P/c1-2-12-13(10,11)6-5-9-4-3-8-7-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid?
2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid has a molecular weight of 206.18 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroimidazol-1-yl)ethyl-ethoxyphosphinic acid is sourced from PubChem (CID 88806908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).