4-bromo-1-(4-chlorophenyl)imidazole

C9H6BrClN2 — CID 66520703

IUPAC4-bromo-1-(4-chlorophenyl)imidazole
SMILESClc1ccc(-n2cnc(Br)c2)cc1
InChIInChI=1S/C9H6BrClN2/c10-9-5-13(6-12-9)8-3-1-7(11)2-4-8/h1-6H
InChIKeyNYLUJMREWYMENL-UHFFFAOYSA-N
MW257.52 g/mol
LogP3.29
Rot. Bonds1

About 4-bromo-1-(4-chlorophenyl)imidazole

4-bromo-1-(4-chlorophenyl)imidazole (PubChem CID 66520703) has the molecular formula C9H6BrClN2 and a molecular weight of 257.52 g/mol. Its IUPAC name is 4-bromo-1-(4-chlorophenyl)imidazole.

Molecular Properties

Compound Name4-bromo-1-(4-chlorophenyl)imidazole
PubChem CID66520703
Molecular FormulaC9H6BrClN2
Molecular Weight257.52 g/mol
Exact Mass255.94
IUPAC Name4-bromo-1-(4-chlorophenyl)imidazole
SMILESClc1ccc(-n2cnc(Br)c2)cc1
InChIInChI=1S/C9H6BrClN2/c10-9-5-13(6-12-9)8-3-1-7(11)2-4-8/h1-6H
InChIKeyNYLUJMREWYMENL-UHFFFAOYSA-N
XLogP3.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.52
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-chlorophenyl)imidazole?
The IUPAC name of 4-bromo-1-(4-chlorophenyl)imidazole (CID 66520703) is 4-bromo-1-(4-chlorophenyl)imidazole.
What is the SMILES notation for 4-bromo-1-(4-chlorophenyl)imidazole?
The canonical SMILES for 4-bromo-1-(4-chlorophenyl)imidazole is Clc1ccc(-n2cnc(Br)c2)cc1.
What is the InChIKey of 4-bromo-1-(4-chlorophenyl)imidazole?
The InChIKey is NYLUJMREWYMENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2/c10-9-5-13(6-12-9)8-3-1-7(11)2-4-8/h1-6H.
What are the key properties of 4-bromo-1-(4-chlorophenyl)imidazole?
4-bromo-1-(4-chlorophenyl)imidazole has a molecular weight of 257.52 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-chlorophenyl)imidazole is sourced from PubChem (CID 66520703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).