4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole

C24H18BrFN2 — CID 10873726

IUPAC4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole
SMILESF/C(=C\Br)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H18BrFN2/c25-16-22(26)23-17-28(18-27-23)24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H/b22-16-
InChIKeyWQGDEXIVIOLWBJ-JWGURIENSA-N
MW433.32 g/mol
LogP6.39
Rot. Bonds5

About 4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole

4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole (PubChem CID 10873726) has the molecular formula C24H18BrFN2 and a molecular weight of 433.32 g/mol. Its IUPAC name is 4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole.

Molecular Properties

Compound Name4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole
PubChem CID10873726
Molecular FormulaC24H18BrFN2
Molecular Weight433.32 g/mol
Exact Mass432.06
IUPAC Name4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole
SMILESF/C(=C\Br)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H18BrFN2/c25-16-22(26)23-17-28(18-27-23)24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H/b22-16-
InChIKeyWQGDEXIVIOLWBJ-JWGURIENSA-N
XLogP6.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.32
LogP ≤ 56.39
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-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole?
The IUPAC name of 4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole (CID 10873726) is 4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole.
What is the SMILES notation for 4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole?
The canonical SMILES for 4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole is F/C(=C\Br)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole?
The InChIKey is WQGDEXIVIOLWBJ-JWGURIENSA-N. The full InChI is InChI=1S/C24H18BrFN2/c25-16-22(26)23-17-28(18-27-23)24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H/b22-16-.
What are the key properties of 4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole?
4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole has a molecular weight of 433.32 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-bromo-1-fluoroethenyl]-1-tritylimidazole is sourced from PubChem (CID 10873726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).