4-ethenyl-1-tritylimidazole

C24H20N2 — CID 11302130

IUPAC4-ethenyl-1-tritylimidazole
SMILESC=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H20N2/c1-2-23-18-26(19-25-23)24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-19H,1H2
InChIKeyFMKDQHLJKQOFQV-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.37
Rot. Bonds5

About 4-ethenyl-1-tritylimidazole

4-ethenyl-1-tritylimidazole (PubChem CID 11302130) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-ethenyl-1-tritylimidazole.

Molecular Properties

Compound Name4-ethenyl-1-tritylimidazole
PubChem CID11302130
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name4-ethenyl-1-tritylimidazole
SMILESC=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H20N2/c1-2-23-18-26(19-25-23)24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-19H,1H2
InChIKeyFMKDQHLJKQOFQV-UHFFFAOYSA-N
XLogP5.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-ethenyl-1-tritylimidazole?
The IUPAC name of 4-ethenyl-1-tritylimidazole (CID 11302130) is 4-ethenyl-1-tritylimidazole.
What is the SMILES notation for 4-ethenyl-1-tritylimidazole?
The canonical SMILES for 4-ethenyl-1-tritylimidazole is C=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 4-ethenyl-1-tritylimidazole?
The InChIKey is FMKDQHLJKQOFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-2-23-18-26(19-25-23)24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-19H,1H2.
What are the key properties of 4-ethenyl-1-tritylimidazole?
4-ethenyl-1-tritylimidazole has a molecular weight of 336.44 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-tritylimidazole is sourced from PubChem (CID 11302130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).