5-bromo-6-fluoro-2-phenyl-1H-benzimidazole

C13H8BrFN2 — CID 79631220

IUPAC5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ccccc3)nc2cc1Br
InChIInChI=1S/C13H8BrFN2/c14-9-6-11-12(7-10(9)15)17-13(16-11)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKeyRABUANCYDDSYMV-UHFFFAOYSA-N
MW291.12 g/mol
LogP4.13
Rot. Bonds1

About 5-bromo-6-fluoro-2-phenyl-1H-benzimidazole

5-bromo-6-fluoro-2-phenyl-1H-benzimidazole (PubChem CID 79631220) has the molecular formula C13H8BrFN2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
PubChem CID79631220
Molecular FormulaC13H8BrFN2
Molecular Weight291.12 g/mol
Exact Mass289.99
IUPAC Name5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ccccc3)nc2cc1Br
InChIInChI=1S/C13H8BrFN2/c14-9-6-11-12(7-10(9)15)17-13(16-11)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKeyRABUANCYDDSYMV-UHFFFAOYSA-N
XLogP4.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-phenyl-1H-benzimidazole?
The IUPAC name of 5-bromo-6-fluoro-2-phenyl-1H-benzimidazole (CID 79631220) is 5-bromo-6-fluoro-2-phenyl-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-fluoro-2-phenyl-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-fluoro-2-phenyl-1H-benzimidazole is Fc1cc2[nH]c(-c3ccccc3)nc2cc1Br.
What is the InChIKey of 5-bromo-6-fluoro-2-phenyl-1H-benzimidazole?
The InChIKey is RABUANCYDDSYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2/c14-9-6-11-12(7-10(9)15)17-13(16-11)8-4-2-1-3-5-8/h1-7H,(H,16,17).
What are the key properties of 5-bromo-6-fluoro-2-phenyl-1H-benzimidazole?
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole has a molecular weight of 291.12 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-phenyl-1H-benzimidazole is sourced from PubChem (CID 79631220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).