diethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole

C22H31N2O4P — CID 174732860

IUPACdiethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole
SMILESCCN1CN(C)C(c2ccccc2)=C1c1ccccc1.CCOP(=O)(O)OCC
InChIInChI=1S/C18H20N2.C4H11O4P/c1-3-20-14-19(2)17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16;1-3-7-9(5,6)8-4-2/h4-13H,3,14H2,1-2H3;3-4H2,1-2H3,(H,5,6)
InChIKeyKWPCJADDBFRJEI-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.90
Rot. Bonds7

About diethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole

diethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole (PubChem CID 174732860) has the molecular formula C22H31N2O4P and a molecular weight of 418.47 g/mol. Its IUPAC name is diethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole.

Molecular Properties

Compound Namediethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole
PubChem CID174732860
Molecular FormulaC22H31N2O4P
Molecular Weight418.47 g/mol
Exact Mass418.20
IUPAC Namediethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole
SMILESCCN1CN(C)C(c2ccccc2)=C1c1ccccc1.CCOP(=O)(O)OCC
InChIInChI=1S/C18H20N2.C4H11O4P/c1-3-20-14-19(2)17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16;1-3-7-9(5,6)8-4-2/h4-13H,3,14H2,1-2H3;3-4H2,1-2H3,(H,5,6)
InChIKeyKWPCJADDBFRJEI-UHFFFAOYSA-N
XLogP4.90
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

diethyl hydrogen phosphate;1,3-dimethyl-4,5-diphenyl-2H-imidazole
CID 174942095
diethyl hydrogen phosphate;1,3-dimethyl-2H-imidazole
CID 162039281
diethyl hydrogen phosphate;1,3-diethyl-2H-imidazole
CID 174641001
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393
CID 54611578
CID 54611578
diethyl hydrogen phosphate;sulfane
CID 88774651
diethyl hydrogen phosphate;scandium
CID 54607585
sodium;acetic acid;diethyl hydrogen phosphate;hydride
CID 175141912
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
diethyl hydrogen phosphate;formonitrile
CID 87389342

Frequently Asked Questions

What is the IUPAC name of diethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole?
The IUPAC name of diethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole (CID 174732860) is diethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole.
What is the SMILES notation for diethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole?
The canonical SMILES for diethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole is CCN1CN(C)C(c2ccccc2)=C1c1ccccc1.CCOP(=O)(O)OCC.
What is the InChIKey of diethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole?
The InChIKey is KWPCJADDBFRJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.C4H11O4P/c1-3-20-14-19(2)17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16;1-3-7-9(5,6)8-4-2/h4-13H,3,14H2,1-2H3;3-4H2,1-2H3,(H,5,6).
What are the key properties of diethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole?
diethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole has a molecular weight of 418.47 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl hydrogen phosphate;1-ethyl-3-methyl-4,5-diphenyl-2H-imidazole is sourced from PubChem (CID 174732860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).