5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole

C21H24FN2O3P — CID 14391007

IUPAC5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole
SMILESCOP(=O)(Cc1c(C(C)C)nc(-c2ccccc2)n1-c1ccc(F)cc1)OC
InChIInChI=1S/C21H24FN2O3P/c1-15(2)20-19(14-28(25,26-3)27-4)24(18-12-10-17(22)11-13-18)21(23-20)16-8-6-5-7-9-16/h5-13,15H,14H2,1-4H3
InChIKeyYYDYVRWFEXGYKZ-UHFFFAOYSA-N
MW402.41 g/mol
LogP5.79
Rot. Bonds7

About 5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole

5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole (PubChem CID 14391007) has the molecular formula C21H24FN2O3P and a molecular weight of 402.41 g/mol. Its IUPAC name is 5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole.

Molecular Properties

Compound Name5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole
PubChem CID14391007
Molecular FormulaC21H24FN2O3P
Molecular Weight402.41 g/mol
Exact Mass402.15
IUPAC Name5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole
SMILESCOP(=O)(Cc1c(C(C)C)nc(-c2ccccc2)n1-c1ccc(F)cc1)OC
InChIInChI=1S/C21H24FN2O3P/c1-15(2)20-19(14-28(25,26-3)27-4)24(18-12-10-17(22)11-13-18)21(23-20)16-8-6-5-7-9-16/h5-13,15H,14H2,1-4H3
InChIKeyYYDYVRWFEXGYKZ-UHFFFAOYSA-N
XLogP5.79
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.41
LogP ≤ 55.79
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 5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole?
The IUPAC name of 5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole (CID 14391007) is 5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole.
What is the SMILES notation for 5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole?
The canonical SMILES for 5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole is COP(=O)(Cc1c(C(C)C)nc(-c2ccccc2)n1-c1ccc(F)cc1)OC.
What is the InChIKey of 5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole?
The InChIKey is YYDYVRWFEXGYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN2O3P/c1-15(2)20-19(14-28(25,26-3)27-4)24(18-12-10-17(22)11-13-18)21(23-20)16-8-6-5-7-9-16/h5-13,15H,14H2,1-4H3.
What are the key properties of 5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole?
5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole has a molecular weight of 402.41 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxyphosphorylmethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole is sourced from PubChem (CID 14391007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).