2-(1-tritylimidazol-4-yl)acetaldehyde

C24H20N2O — CID 22254261

IUPAC2-(1-tritylimidazol-4-yl)acetaldehyde
SMILESO=CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H20N2O/c27-17-16-23-18-26(19-25-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,17-19H,16H2
InChIKeyWLYVAVCZXRPTIH-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.46
Rot. Bonds6

About 2-(1-tritylimidazol-4-yl)acetaldehyde

2-(1-tritylimidazol-4-yl)acetaldehyde (PubChem CID 22254261) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(1-tritylimidazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-tritylimidazol-4-yl)acetaldehyde
PubChem CID22254261
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2-(1-tritylimidazol-4-yl)acetaldehyde
SMILESO=CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H20N2O/c27-17-16-23-18-26(19-25-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,17-19H,16H2
InChIKeyWLYVAVCZXRPTIH-UHFFFAOYSA-N
XLogP4.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tritylimidazol-4-yl)acetaldehyde?
The IUPAC name of 2-(1-tritylimidazol-4-yl)acetaldehyde (CID 22254261) is 2-(1-tritylimidazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-(1-tritylimidazol-4-yl)acetaldehyde?
The canonical SMILES for 2-(1-tritylimidazol-4-yl)acetaldehyde is O=CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 2-(1-tritylimidazol-4-yl)acetaldehyde?
The InChIKey is WLYVAVCZXRPTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c27-17-16-23-18-26(19-25-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,17-19H,16H2.
What are the key properties of 2-(1-tritylimidazol-4-yl)acetaldehyde?
2-(1-tritylimidazol-4-yl)acetaldehyde has a molecular weight of 352.44 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tritylimidazol-4-yl)acetaldehyde is sourced from PubChem (CID 22254261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).