2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole

C15H9BrClFN2 — CID 52941010

IUPAC2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole
SMILESFc1cccc(Cl)c1-c1cnc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C15H9BrClFN2/c16-10-6-4-9(5-7-10)15-19-8-13(20-15)14-11(17)2-1-3-12(14)18/h1-8H,(H,19,20)
InChIKeyQJJUMTXOSQZNMB-UHFFFAOYSA-N
MW351.61 g/mol
LogP5.30
Rot. Bonds2

About 2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole

2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole (PubChem CID 52941010) has the molecular formula C15H9BrClFN2 and a molecular weight of 351.61 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole
PubChem CID52941010
Molecular FormulaC15H9BrClFN2
Molecular Weight351.61 g/mol
Exact Mass349.96
IUPAC Name2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole
SMILESFc1cccc(Cl)c1-c1cnc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C15H9BrClFN2/c16-10-6-4-9(5-7-10)15-19-8-13(20-15)14-11(17)2-1-3-12(14)18/h1-8H,(H,19,20)
InChIKeyQJJUMTXOSQZNMB-UHFFFAOYSA-N
XLogP5.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.61
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole?
The IUPAC name of 2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole (CID 52941010) is 2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole?
The canonical SMILES for 2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole is Fc1cccc(Cl)c1-c1cnc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole?
The InChIKey is QJJUMTXOSQZNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2/c16-10-6-4-9(5-7-10)15-19-8-13(20-15)14-11(17)2-1-3-12(14)18/h1-8H,(H,19,20).
What are the key properties of 2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole?
2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole has a molecular weight of 351.61 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1H-imidazole is sourced from PubChem (CID 52941010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).