6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid

C19H27F2N2O5P — CID 10365504

IUPAC6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid
SMILESO=C1NC[C@H](/C=C/C(O)C(F)(F)c2ccccc2)N1CCCCCCP(=O)(O)O
InChIInChI=1S/C19H27F2N2O5P/c20-19(21,15-8-4-3-5-9-15)17(24)11-10-16-14-22-18(25)23(16)12-6-1-2-7-13-29(26,27)28/h3-5,8-11,16-17,24H,1-2,6-7,12-14H2,(H,22,25)(H2,26,27,28)/b11-10+/t16-,17?/m0/s1
InChIKeyXVQLSAFQWSUONJ-YSTYDPQKSA-N
MW432.40 g/mol
LogP2.83
Rot. Bonds11

About 6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid

6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid (PubChem CID 10365504) has the molecular formula C19H27F2N2O5P and a molecular weight of 432.40 g/mol. Its IUPAC name is 6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid.

Molecular Properties

Compound Name6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid
PubChem CID10365504
Molecular FormulaC19H27F2N2O5P
Molecular Weight432.40 g/mol
Exact Mass432.16
IUPAC Name6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid
SMILESO=C1NC[C@H](/C=C/C(O)C(F)(F)c2ccccc2)N1CCCCCCP(=O)(O)O
InChIInChI=1S/C19H27F2N2O5P/c20-19(21,15-8-4-3-5-9-15)17(24)11-10-16-14-22-18(25)23(16)12-6-1-2-7-13-29(26,27)28/h3-5,8-11,16-17,24H,1-2,6-7,12-14H2,(H,22,25)(H2,26,27,28)/b11-10+/t16-,17?/m0/s1
InChIKeyXVQLSAFQWSUONJ-YSTYDPQKSA-N
XLogP2.83
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid?
The IUPAC name of 6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid (CID 10365504) is 6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid.
What is the SMILES notation for 6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid?
The canonical SMILES for 6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid is O=C1NC[C@H](/C=C/C(O)C(F)(F)c2ccccc2)N1CCCCCCP(=O)(O)O.
What is the InChIKey of 6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid?
The InChIKey is XVQLSAFQWSUONJ-YSTYDPQKSA-N. The full InChI is InChI=1S/C19H27F2N2O5P/c20-19(21,15-8-4-3-5-9-15)17(24)11-10-16-14-22-18(25)23(16)12-6-1-2-7-13-29(26,27)28/h3-5,8-11,16-17,24H,1-2,6-7,12-14H2,(H,22,25)(H2,26,27,28)/b11-10+/t16-,17?/m0/s1.
What are the key properties of 6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid?
6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid has a molecular weight of 432.40 g/mol, XLogP of 2.83, 11 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5S)-5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]hexylphosphonic acid is sourced from PubChem (CID 10365504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).