3-(1-tritylimidazol-4-yl)propanoic acid

C25H22N2O2 — CID 7408442

IUPAC3-(1-tritylimidazol-4-yl)propanoic acid
SMILESO=C(O)CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H22N2O2/c28-24(29)17-16-23-18-27(19-26-23)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,28,29)
InChIKeyWPUNOGRJNPUUQT-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.74
Rot. Bonds7

About 3-(1-tritylimidazol-4-yl)propanoic acid

3-(1-tritylimidazol-4-yl)propanoic acid (PubChem CID 7408442) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(1-tritylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-tritylimidazol-4-yl)propanoic acid
PubChem CID7408442
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name3-(1-tritylimidazol-4-yl)propanoic acid
SMILESO=C(O)CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H22N2O2/c28-24(29)17-16-23-18-27(19-26-23)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,28,29)
InChIKeyWPUNOGRJNPUUQT-UHFFFAOYSA-N
XLogP4.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tritylimidazol-4-yl)propanoic acid?
The IUPAC name of 3-(1-tritylimidazol-4-yl)propanoic acid (CID 7408442) is 3-(1-tritylimidazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-tritylimidazol-4-yl)propanoic acid?
The canonical SMILES for 3-(1-tritylimidazol-4-yl)propanoic acid is O=C(O)CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 3-(1-tritylimidazol-4-yl)propanoic acid?
The InChIKey is WPUNOGRJNPUUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-24(29)17-16-23-18-27(19-26-23)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,28,29).
What are the key properties of 3-(1-tritylimidazol-4-yl)propanoic acid?
3-(1-tritylimidazol-4-yl)propanoic acid has a molecular weight of 382.46 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tritylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 7408442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).