5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole

C11H12BrFN2 — CID 79630380

IUPAC5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole
SMILESCCC(C)c1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C11H12BrFN2/c1-3-6(2)11-14-9-4-7(12)8(13)5-10(9)15-11/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyFHCWSGZLYVSZCA-UHFFFAOYSA-N
MW271.13 g/mol
LogP3.98
Rot. Bonds2

About 5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole

5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole (PubChem CID 79630380) has the molecular formula C11H12BrFN2 and a molecular weight of 271.13 g/mol. Its IUPAC name is 5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole
PubChem CID79630380
Molecular FormulaC11H12BrFN2
Molecular Weight271.13 g/mol
Exact Mass270.02
IUPAC Name5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole
SMILESCCC(C)c1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C11H12BrFN2/c1-3-6(2)11-14-9-4-7(12)8(13)5-10(9)15-11/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyFHCWSGZLYVSZCA-UHFFFAOYSA-N
XLogP3.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole (CID 79630380) is 5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole is CCC(C)c1nc2cc(Br)c(F)cc2[nH]1.
What is the InChIKey of 5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole?
The InChIKey is FHCWSGZLYVSZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2/c1-3-6(2)11-14-9-4-7(12)8(13)5-10(9)15-11/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole?
5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole has a molecular weight of 271.13 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 79630380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).