(Z)-5-(1-tritylimidazol-4-yl)pent-4-enal

C27H24N2O — CID 59032667

IUPAC(Z)-5-(1-tritylimidazol-4-yl)pent-4-enal
SMILESO=CCC/C=C\c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C27H24N2O/c30-20-12-4-11-19-26-21-29(22-28-26)27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-3,5-11,13-22H,4,12H2/b19-11-
InChIKeyKPTVWLVGCWXLCA-ODLFYWEKSA-N
MW392.50 g/mol
LogP5.72
Rot. Bonds8

About (Z)-5-(1-tritylimidazol-4-yl)pent-4-enal

(Z)-5-(1-tritylimidazol-4-yl)pent-4-enal (PubChem CID 59032667) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is (Z)-5-(1-tritylimidazol-4-yl)pent-4-enal.

Molecular Properties

Compound Name(Z)-5-(1-tritylimidazol-4-yl)pent-4-enal
PubChem CID59032667
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name(Z)-5-(1-tritylimidazol-4-yl)pent-4-enal
SMILESO=CCC/C=C\c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C27H24N2O/c30-20-12-4-11-19-26-21-29(22-28-26)27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-3,5-11,13-22H,4,12H2/b19-11-
InChIKeyKPTVWLVGCWXLCA-ODLFYWEKSA-N
XLogP5.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-5-(1-tritylimidazol-4-yl)pent-4-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(1-tritylimidazol-4-yl)pent-4-enal?
The IUPAC name of (Z)-5-(1-tritylimidazol-4-yl)pent-4-enal (CID 59032667) is (Z)-5-(1-tritylimidazol-4-yl)pent-4-enal.
What is the SMILES notation for (Z)-5-(1-tritylimidazol-4-yl)pent-4-enal?
The canonical SMILES for (Z)-5-(1-tritylimidazol-4-yl)pent-4-enal is O=CCC/C=C\c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of (Z)-5-(1-tritylimidazol-4-yl)pent-4-enal?
The InChIKey is KPTVWLVGCWXLCA-ODLFYWEKSA-N. The full InChI is InChI=1S/C27H24N2O/c30-20-12-4-11-19-26-21-29(22-28-26)27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-3,5-11,13-22H,4,12H2/b19-11-.
What are the key properties of (Z)-5-(1-tritylimidazol-4-yl)pent-4-enal?
(Z)-5-(1-tritylimidazol-4-yl)pent-4-enal has a molecular weight of 392.50 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(1-tritylimidazol-4-yl)pent-4-enal is sourced from PubChem (CID 59032667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).