4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole

C9H5Br2FN2 — CID 20551915

IUPAC4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole
SMILESFc1ccc(-c2nc(Br)c(Br)[nH]2)cc1
InChIInChI=1S/C9H5Br2FN2/c10-7-8(11)14-9(13-7)5-1-3-6(12)4-2-5/h1-4H,(H,13,14)
InChIKeyKGYPNBUPGAYZQN-UHFFFAOYSA-N
MW319.96 g/mol
LogP3.74
Rot. Bonds1

About 4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole

4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole (PubChem CID 20551915) has the molecular formula C9H5Br2FN2 and a molecular weight of 319.96 g/mol. Its IUPAC name is 4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole.

Molecular Properties

Compound Name4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole
PubChem CID20551915
Molecular FormulaC9H5Br2FN2
Molecular Weight319.96 g/mol
Exact Mass317.88
IUPAC Name4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole
SMILESFc1ccc(-c2nc(Br)c(Br)[nH]2)cc1
InChIInChI=1S/C9H5Br2FN2/c10-7-8(11)14-9(13-7)5-1-3-6(12)4-2-5/h1-4H,(H,13,14)
InChIKeyKGYPNBUPGAYZQN-UHFFFAOYSA-N
XLogP3.74
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.96
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole?
The IUPAC name of 4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole (CID 20551915) is 4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole.
What is the SMILES notation for 4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole?
The canonical SMILES for 4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole is Fc1ccc(-c2nc(Br)c(Br)[nH]2)cc1.
What is the InChIKey of 4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole?
The InChIKey is KGYPNBUPGAYZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2FN2/c10-7-8(11)14-9(13-7)5-1-3-6(12)4-2-5/h1-4H,(H,13,14).
What are the key properties of 4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole?
4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole has a molecular weight of 319.96 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(4-fluorophenyl)-1H-imidazole is sourced from PubChem (CID 20551915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).