3-(1-tritylimidazol-4-yl)propanoate

C25H21N2O2- — CID 7408441

IUPAC3-(1-tritylimidazol-4-yl)propanoate
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)/p-1
InChIKeyWPUNOGRJNPUUQT-UHFFFAOYSA-M
MW381.46 g/mol
LogP3.41
Rot. Bonds7

About 3-(1-tritylimidazol-4-yl)propanoate

3-(1-tritylimidazol-4-yl)propanoate (PubChem CID 7408441) has the molecular formula C25H21N2O2- and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-(1-tritylimidazol-4-yl)propanoate.

Molecular Properties

Compound Name3-(1-tritylimidazol-4-yl)propanoate
PubChem CID7408441
Molecular FormulaC25H21N2O2-
Molecular Weight381.46 g/mol
Exact Mass381.16
IUPAC Name3-(1-tritylimidazol-4-yl)propanoate
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)/p-1
InChIKeyWPUNOGRJNPUUQT-UHFFFAOYSA-M
XLogP3.41
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)propanoate?
The IUPAC name of 3-(1-tritylimidazol-4-yl)propanoate (CID 7408441) is 3-(1-tritylimidazol-4-yl)propanoate.
What is the SMILES notation for 3-(1-tritylimidazol-4-yl)propanoate?
The canonical SMILES for 3-(1-tritylimidazol-4-yl)propanoate is O=C([O-])CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 3-(1-tritylimidazol-4-yl)propanoate?
The InChIKey is WPUNOGRJNPUUQT-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 3-(1-tritylimidazol-4-yl)propanoate?
3-(1-tritylimidazol-4-yl)propanoate has a molecular weight of 381.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tritylimidazol-4-yl)propanoate is sourced from PubChem (CID 7408441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).