2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole

C10H21N2O3P — CID 138376873

IUPAC2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole
SMILESCCOP(=O)(OCC)C1N(C)C=CN1CC
InChIInChI=1S/C10H21N2O3P/c1-5-12-9-8-11(4)10(12)16(13,14-6-2)15-7-3/h8-10H,5-7H2,1-4H3
InChIKeyUNBJPTGUBZKEQM-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.27
Rot. Bonds6

About 2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole

2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole (PubChem CID 138376873) has the molecular formula C10H21N2O3P and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole
PubChem CID138376873
Molecular FormulaC10H21N2O3P
Molecular Weight248.26 g/mol
Exact Mass248.13
IUPAC Name2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole
SMILESCCOP(=O)(OCC)C1N(C)C=CN1CC
InChIInChI=1S/C10H21N2O3P/c1-5-12-9-8-11(4)10(12)16(13,14-6-2)15-7-3/h8-10H,5-7H2,1-4H3
InChIKeyUNBJPTGUBZKEQM-UHFFFAOYSA-N
XLogP2.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole?
The IUPAC name of 2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole (CID 138376873) is 2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole.
What is the SMILES notation for 2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole?
The canonical SMILES for 2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole is CCOP(=O)(OCC)C1N(C)C=CN1CC.
What is the InChIKey of 2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole?
The InChIKey is UNBJPTGUBZKEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O3P/c1-5-12-9-8-11(4)10(12)16(13,14-6-2)15-7-3/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole?
2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole has a molecular weight of 248.26 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1-ethyl-3-methyl-2H-imidazole is sourced from PubChem (CID 138376873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).