5-bromo-2-(3-fluorophenyl)-1H-imidazole

C9H6BrFN2 — CID 117259232

IUPAC5-bromo-2-(3-fluorophenyl)-1H-imidazole
SMILESFc1cccc(-c2ncc(Br)[nH]2)c1
InChIInChI=1S/C9H6BrFN2/c10-8-5-12-9(13-8)6-2-1-3-7(11)4-6/h1-5H,(H,12,13)
InChIKeyBTDHXDRODKXQAC-UHFFFAOYSA-N
MW241.06 g/mol
LogP2.98
Rot. Bonds1

About 5-bromo-2-(3-fluorophenyl)-1H-imidazole

5-bromo-2-(3-fluorophenyl)-1H-imidazole (PubChem CID 117259232) has the molecular formula C9H6BrFN2 and a molecular weight of 241.06 g/mol. Its IUPAC name is 5-bromo-2-(3-fluorophenyl)-1H-imidazole.

Molecular Properties

Compound Name5-bromo-2-(3-fluorophenyl)-1H-imidazole
PubChem CID117259232
Molecular FormulaC9H6BrFN2
Molecular Weight241.06 g/mol
Exact Mass239.97
IUPAC Name5-bromo-2-(3-fluorophenyl)-1H-imidazole
SMILESFc1cccc(-c2ncc(Br)[nH]2)c1
InChIInChI=1S/C9H6BrFN2/c10-8-5-12-9(13-8)6-2-1-3-7(11)4-6/h1-5H,(H,12,13)
InChIKeyBTDHXDRODKXQAC-UHFFFAOYSA-N
XLogP2.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluorophenyl)-1H-imidazole?
The IUPAC name of 5-bromo-2-(3-fluorophenyl)-1H-imidazole (CID 117259232) is 5-bromo-2-(3-fluorophenyl)-1H-imidazole.
What is the SMILES notation for 5-bromo-2-(3-fluorophenyl)-1H-imidazole?
The canonical SMILES for 5-bromo-2-(3-fluorophenyl)-1H-imidazole is Fc1cccc(-c2ncc(Br)[nH]2)c1.
What is the InChIKey of 5-bromo-2-(3-fluorophenyl)-1H-imidazole?
The InChIKey is BTDHXDRODKXQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2/c10-8-5-12-9(13-8)6-2-1-3-7(11)4-6/h1-5H,(H,12,13).
What are the key properties of 5-bromo-2-(3-fluorophenyl)-1H-imidazole?
5-bromo-2-(3-fluorophenyl)-1H-imidazole has a molecular weight of 241.06 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluorophenyl)-1H-imidazole is sourced from PubChem (CID 117259232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).