3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid

C24H26N2O3S — CID 121312970

IUPAC3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid
SMILESO=S(=O)(O)CCCN1C(c2ccccc2)CN(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H26N2O3S/c27-30(28,29)18-10-17-25-23(20-11-4-1-5-12-20)19-26(22-15-8-3-9-16-22)24(25)21-13-6-2-7-14-21/h1-9,11-16,23-24H,10,17-19H2,(H,27,28,29)
InChIKeyPZHUVGLIORHYPM-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.53
Rot. Bonds7

About 3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid

3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid (PubChem CID 121312970) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid.

Molecular Properties

Compound Name3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid
PubChem CID121312970
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid
SMILESO=S(=O)(O)CCCN1C(c2ccccc2)CN(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H26N2O3S/c27-30(28,29)18-10-17-25-23(20-11-4-1-5-12-20)19-26(22-15-8-3-9-16-22)24(25)21-13-6-2-7-14-21/h1-9,11-16,23-24H,10,17-19H2,(H,27,28,29)
InChIKeyPZHUVGLIORHYPM-UHFFFAOYSA-N
XLogP4.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid?
The IUPAC name of 3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid (CID 121312970) is 3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid.
What is the SMILES notation for 3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid?
The canonical SMILES for 3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid is O=S(=O)(O)CCCN1C(c2ccccc2)CN(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid?
The InChIKey is PZHUVGLIORHYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c27-30(28,29)18-10-17-25-23(20-11-4-1-5-12-20)19-26(22-15-8-3-9-16-22)24(25)21-13-6-2-7-14-21/h1-9,11-16,23-24H,10,17-19H2,(H,27,28,29).
What are the key properties of 3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid?
3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid has a molecular weight of 422.55 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5-triphenylimidazolidin-1-yl)propane-1-sulfonic acid is sourced from PubChem (CID 121312970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).