1-(5-bromo-2-fluorophenyl)imidazole

C9H6BrFN2 — CID 22329507

IUPAC1-(5-bromo-2-fluorophenyl)imidazole
SMILESFc1ccc(Br)cc1-n1ccnc1
InChIInChI=1S/C9H6BrFN2/c10-7-1-2-8(11)9(5-7)13-4-3-12-6-13/h1-6H
InChIKeyBBTAHCQEABZCRU-UHFFFAOYSA-N
MW241.06 g/mol
LogP2.77
Rot. Bonds1

About 1-(5-bromo-2-fluorophenyl)imidazole

1-(5-bromo-2-fluorophenyl)imidazole (PubChem CID 22329507) has the molecular formula C9H6BrFN2 and a molecular weight of 241.06 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)imidazole.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)imidazole
PubChem CID22329507
Molecular FormulaC9H6BrFN2
Molecular Weight241.06 g/mol
Exact Mass239.97
IUPAC Name1-(5-bromo-2-fluorophenyl)imidazole
SMILESFc1ccc(Br)cc1-n1ccnc1
InChIInChI=1S/C9H6BrFN2/c10-7-1-2-8(11)9(5-7)13-4-3-12-6-13/h1-6H
InChIKeyBBTAHCQEABZCRU-UHFFFAOYSA-N
XLogP2.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)imidazole?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)imidazole (CID 22329507) is 1-(5-bromo-2-fluorophenyl)imidazole.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)imidazole?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)imidazole is Fc1ccc(Br)cc1-n1ccnc1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)imidazole?
The InChIKey is BBTAHCQEABZCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2/c10-7-1-2-8(11)9(5-7)13-4-3-12-6-13/h1-6H.
What are the key properties of 1-(5-bromo-2-fluorophenyl)imidazole?
1-(5-bromo-2-fluorophenyl)imidazole has a molecular weight of 241.06 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)imidazole is sourced from PubChem (CID 22329507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).