4-bromo-1-tritylimidazole

C22H17BrN2 — CID 2773274

IUPAC4-bromo-1-tritylimidazole
SMILESBrc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C22H17BrN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKeyBSQFJBYJUQJNMZ-UHFFFAOYSA-N
MW389.30 g/mol
LogP5.49
Rot. Bonds4

About 4-bromo-1-tritylimidazole

4-bromo-1-tritylimidazole (PubChem CID 2773274) has the molecular formula C22H17BrN2 and a molecular weight of 389.30 g/mol. Its IUPAC name is 4-bromo-1-tritylimidazole.

Molecular Properties

Compound Name4-bromo-1-tritylimidazole
PubChem CID2773274
Molecular FormulaC22H17BrN2
Molecular Weight389.30 g/mol
Exact Mass388.06
IUPAC Name4-bromo-1-tritylimidazole
SMILESBrc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C22H17BrN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKeyBSQFJBYJUQJNMZ-UHFFFAOYSA-N
XLogP5.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.30
LogP ≤ 55.49
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-bromo-1-tritylimidazole?
The IUPAC name of 4-bromo-1-tritylimidazole (CID 2773274) is 4-bromo-1-tritylimidazole.
What is the SMILES notation for 4-bromo-1-tritylimidazole?
The canonical SMILES for 4-bromo-1-tritylimidazole is Brc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 4-bromo-1-tritylimidazole?
The InChIKey is BSQFJBYJUQJNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H.
What are the key properties of 4-bromo-1-tritylimidazole?
4-bromo-1-tritylimidazole has a molecular weight of 389.30 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-tritylimidazole is sourced from PubChem (CID 2773274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).