4-(1-fluoroethenyl)-1-tritylimidazole

C24H19FN2 — CID 10937124

IUPAC4-(1-fluoroethenyl)-1-tritylimidazole
SMILESC=C(F)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H19FN2/c1-19(25)23-17-27(18-26-23)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H2
InChIKeyJALMDOADYUWUCW-UHFFFAOYSA-N
MW354.43 g/mol
LogP5.66
Rot. Bonds5

About 4-(1-fluoroethenyl)-1-tritylimidazole

4-(1-fluoroethenyl)-1-tritylimidazole (PubChem CID 10937124) has the molecular formula C24H19FN2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-(1-fluoroethenyl)-1-tritylimidazole.

Molecular Properties

Compound Name4-(1-fluoroethenyl)-1-tritylimidazole
PubChem CID10937124
Molecular FormulaC24H19FN2
Molecular Weight354.43 g/mol
Exact Mass354.15
IUPAC Name4-(1-fluoroethenyl)-1-tritylimidazole
SMILESC=C(F)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H19FN2/c1-19(25)23-17-27(18-26-23)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H2
InChIKeyJALMDOADYUWUCW-UHFFFAOYSA-N
XLogP5.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.43
LogP ≤ 55.66
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-(1-fluoroethenyl)-1-tritylimidazole?
The IUPAC name of 4-(1-fluoroethenyl)-1-tritylimidazole (CID 10937124) is 4-(1-fluoroethenyl)-1-tritylimidazole.
What is the SMILES notation for 4-(1-fluoroethenyl)-1-tritylimidazole?
The canonical SMILES for 4-(1-fluoroethenyl)-1-tritylimidazole is C=C(F)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 4-(1-fluoroethenyl)-1-tritylimidazole?
The InChIKey is JALMDOADYUWUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2/c1-19(25)23-17-27(18-26-23)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H2.
What are the key properties of 4-(1-fluoroethenyl)-1-tritylimidazole?
4-(1-fluoroethenyl)-1-tritylimidazole has a molecular weight of 354.43 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethenyl)-1-tritylimidazole is sourced from PubChem (CID 10937124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).