4-(difluoromethyl)-1-tritylimidazole

C23H18F2N2 — CID 12035265

IUPAC4-(difluoromethyl)-1-tritylimidazole
SMILESFC(F)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C23H18F2N2/c24-22(25)21-16-27(17-26-21)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,22H
InChIKeyBWFNXNDRKVXUDG-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.66
Rot. Bonds5

About 4-(difluoromethyl)-1-tritylimidazole

4-(difluoromethyl)-1-tritylimidazole (PubChem CID 12035265) has the molecular formula C23H18F2N2 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-tritylimidazole.

Molecular Properties

Compound Name4-(difluoromethyl)-1-tritylimidazole
PubChem CID12035265
Molecular FormulaC23H18F2N2
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name4-(difluoromethyl)-1-tritylimidazole
SMILESFC(F)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C23H18F2N2/c24-22(25)21-16-27(17-26-21)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,22H
InChIKeyBWFNXNDRKVXUDG-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 ≤ 500360.41
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-(difluoromethyl)-1-tritylimidazole?
The IUPAC name of 4-(difluoromethyl)-1-tritylimidazole (CID 12035265) is 4-(difluoromethyl)-1-tritylimidazole.
What is the SMILES notation for 4-(difluoromethyl)-1-tritylimidazole?
The canonical SMILES for 4-(difluoromethyl)-1-tritylimidazole is FC(F)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 4-(difluoromethyl)-1-tritylimidazole?
The InChIKey is BWFNXNDRKVXUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2/c24-22(25)21-16-27(17-26-21)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,22H.
What are the key properties of 4-(difluoromethyl)-1-tritylimidazole?
4-(difluoromethyl)-1-tritylimidazole has a molecular weight of 360.41 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-(difluoromethyl)-1-tritylimidazole is sourced from PubChem (CID 12035265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).