1-tritylimidazole-2-carbaldehyde

C23H18N2O — CID 618253

IUPAC1-tritylimidazole-2-carbaldehyde
SMILESO=Cc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N2O/c26-18-22-24-16-17-25(22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKeyQYVILFCVZUELEG-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.54
Rot. Bonds5

About 1-tritylimidazole-2-carbaldehyde

1-tritylimidazole-2-carbaldehyde (PubChem CID 618253) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-tritylimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-tritylimidazole-2-carbaldehyde
PubChem CID618253
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name1-tritylimidazole-2-carbaldehyde
SMILESO=Cc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N2O/c26-18-22-24-16-17-25(22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKeyQYVILFCVZUELEG-UHFFFAOYSA-N
XLogP4.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.54
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 1-tritylimidazole-2-carbaldehyde?
The IUPAC name of 1-tritylimidazole-2-carbaldehyde (CID 618253) is 1-tritylimidazole-2-carbaldehyde.
What is the SMILES notation for 1-tritylimidazole-2-carbaldehyde?
The canonical SMILES for 1-tritylimidazole-2-carbaldehyde is O=Cc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-tritylimidazole-2-carbaldehyde?
The InChIKey is QYVILFCVZUELEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c26-18-22-24-16-17-25(22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H.
What are the key properties of 1-tritylimidazole-2-carbaldehyde?
1-tritylimidazole-2-carbaldehyde has a molecular weight of 338.41 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritylimidazole-2-carbaldehyde is sourced from PubChem (CID 618253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).