2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde

C29H23N3O — CID 146662643

IUPAC2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde
SMILESO=CCc1ncc(-c2ccccn2)n1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H23N3O/c33-21-19-28-31-22-27(26-18-10-11-20-30-26)32(28)29(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-18,20-22H,19H2
InChIKeyVTDWUYCPBBVLMH-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.53
Rot. Bonds7

About 2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde

2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde (PubChem CID 146662643) has the molecular formula C29H23N3O and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde
PubChem CID146662643
Molecular FormulaC29H23N3O
Molecular Weight429.52 g/mol
Exact Mass429.18
IUPAC Name2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde
SMILESO=CCc1ncc(-c2ccccn2)n1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H23N3O/c33-21-19-28-31-22-27(26-18-10-11-20-30-26)32(28)29(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-18,20-22H,19H2
InChIKeyVTDWUYCPBBVLMH-UHFFFAOYSA-N
XLogP5.53
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde?
The IUPAC name of 2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde (CID 146662643) is 2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde is O=CCc1ncc(-c2ccccn2)n1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde?
The InChIKey is VTDWUYCPBBVLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O/c33-21-19-28-31-22-27(26-18-10-11-20-30-26)32(28)29(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-18,20-22H,19H2.
What are the key properties of 2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde?
2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde has a molecular weight of 429.52 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-yl-1-tritylimidazol-2-yl)acetaldehyde is sourced from PubChem (CID 146662643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).