2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole

C15H8Br3FN2 — CID 68804053

IUPAC2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole
SMILESFc1ccc(-c2nccn2-c2c(Br)cc(Br)cc2Br)cc1
InChIInChI=1S/C15H8Br3FN2/c16-10-7-12(17)14(13(18)8-10)21-6-5-20-15(21)9-1-3-11(19)4-2-9/h1-8H
InChIKeyHGQVJSRVBSEBOM-UHFFFAOYSA-N
MW474.95 g/mol
LogP5.97
Rot. Bonds2

About 2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole

2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole (PubChem CID 68804053) has the molecular formula C15H8Br3FN2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole
PubChem CID68804053
Molecular FormulaC15H8Br3FN2
Molecular Weight474.95 g/mol
Exact Mass471.82
IUPAC Name2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole
SMILESFc1ccc(-c2nccn2-c2c(Br)cc(Br)cc2Br)cc1
InChIInChI=1S/C15H8Br3FN2/c16-10-7-12(17)14(13(18)8-10)21-6-5-20-15(21)9-1-3-11(19)4-2-9/h1-8H
InChIKeyHGQVJSRVBSEBOM-UHFFFAOYSA-N
XLogP5.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.95
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole?
The IUPAC name of 2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole (CID 68804053) is 2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole is Fc1ccc(-c2nccn2-c2c(Br)cc(Br)cc2Br)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole?
The InChIKey is HGQVJSRVBSEBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br3FN2/c16-10-7-12(17)14(13(18)8-10)21-6-5-20-15(21)9-1-3-11(19)4-2-9/h1-8H.
What are the key properties of 2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole?
2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole has a molecular weight of 474.95 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2,4,6-tribromophenyl)imidazole is sourced from PubChem (CID 68804053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).