5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole

C11H6BrFN2O — CID 79630468

IUPAC5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ccco3)nc2cc1Br
InChIInChI=1S/C11H6BrFN2O/c12-6-4-8-9(5-7(6)13)15-11(14-8)10-2-1-3-16-10/h1-5H,(H,14,15)
InChIKeyHOJLXAZWOADJCZ-UHFFFAOYSA-N
MW281.08 g/mol
LogP3.72
Rot. Bonds1

About 5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole

5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole (PubChem CID 79630468) has the molecular formula C11H6BrFN2O and a molecular weight of 281.08 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole
PubChem CID79630468
Molecular FormulaC11H6BrFN2O
Molecular Weight281.08 g/mol
Exact Mass279.96
IUPAC Name5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ccco3)nc2cc1Br
InChIInChI=1S/C11H6BrFN2O/c12-6-4-8-9(5-7(6)13)15-11(14-8)10-2-1-3-16-10/h1-5H,(H,14,15)
InChIKeyHOJLXAZWOADJCZ-UHFFFAOYSA-N
XLogP3.72
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole?
The IUPAC name of 5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole (CID 79630468) is 5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole is Fc1cc2[nH]c(-c3ccco3)nc2cc1Br.
What is the InChIKey of 5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole?
The InChIKey is HOJLXAZWOADJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O/c12-6-4-8-9(5-7(6)13)15-11(14-8)10-2-1-3-16-10/h1-5H,(H,14,15).
What are the key properties of 5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole?
5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole has a molecular weight of 281.08 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-(furan-2-yl)-1H-benzimidazole is sourced from PubChem (CID 79630468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).