2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid

C18H18N3O4P — CID 67579103

IUPAC2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid
SMILESN#Cc1ccc(N2CC(CCP(=O)(O)O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H18N3O4P/c19-12-14-6-8-15(9-7-14)20-13-17(10-11-26(23,24)25)21(18(20)22)16-4-2-1-3-5-16/h1-9,17H,10-11,13H2,(H2,23,24,25)
InChIKeyHCUYSJSLLHDLNB-UHFFFAOYSA-N
MW371.33 g/mol
LogP2.94
Rot. Bonds5

About 2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid

2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid (PubChem CID 67579103) has the molecular formula C18H18N3O4P and a molecular weight of 371.33 g/mol. Its IUPAC name is 2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid.

Molecular Properties

Compound Name2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid
PubChem CID67579103
Molecular FormulaC18H18N3O4P
Molecular Weight371.33 g/mol
Exact Mass371.10
IUPAC Name2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid
SMILESN#Cc1ccc(N2CC(CCP(=O)(O)O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H18N3O4P/c19-12-14-6-8-15(9-7-14)20-13-17(10-11-26(23,24)25)21(18(20)22)16-4-2-1-3-5-16/h1-9,17H,10-11,13H2,(H2,23,24,25)
InChIKeyHCUYSJSLLHDLNB-UHFFFAOYSA-N
XLogP2.94
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid?
The IUPAC name of 2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid (CID 67579103) is 2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid.
What is the SMILES notation for 2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid?
The canonical SMILES for 2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid is N#Cc1ccc(N2CC(CCP(=O)(O)O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid?
The InChIKey is HCUYSJSLLHDLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N3O4P/c19-12-14-6-8-15(9-7-14)20-13-17(10-11-26(23,24)25)21(18(20)22)16-4-2-1-3-5-16/h1-9,17H,10-11,13H2,(H2,23,24,25).
What are the key properties of 2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid?
2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid has a molecular weight of 371.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyanophenyl)-2-oxo-3-phenylimidazolidin-4-yl]ethylphosphonic acid is sourced from PubChem (CID 67579103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).