6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine

C12H15BrFN3 — CID 116738073

IUPAC6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine
SMILESCCC(C)(C)n1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C12H15BrFN3/c1-4-12(2,3)17-10-5-7(13)8(14)6-9(10)16-11(17)15/h5-6H,4H2,1-3H3,(H2,15,16)
InChIKeyLCFUXLDCFQMPGT-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.67
Rot. Bonds2

About 6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine

6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine (PubChem CID 116738073) has the molecular formula C12H15BrFN3 and a molecular weight of 300.18 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine
PubChem CID116738073
Molecular FormulaC12H15BrFN3
Molecular Weight300.18 g/mol
Exact Mass299.04
IUPAC Name6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine
SMILESCCC(C)(C)n1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C12H15BrFN3/c1-4-12(2,3)17-10-5-7(13)8(14)6-9(10)16-11(17)15/h5-6H,4H2,1-3H3,(H2,15,16)
InChIKeyLCFUXLDCFQMPGT-UHFFFAOYSA-N
XLogP3.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine
CID 103462895
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456
6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine
CID 116738001
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
6-bromo-1-[(1-ethylcyclopropyl)methyl]-5-fluorobenzimidazol-2-amine
CID 114101078
6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine
CID 116738307
6-bromo-1-tert-butyl-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738667
6-bromo-1-ethyl-5-fluoro-2-methylbenzimidazole
CID 144859184
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
6-bromo-5-fluoro-1-(4-methylsulfanylbutyl)benzimidazol-2-amine
CID 116738528
6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 116738290
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 116738123

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine (CID 116738073) is 6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine is CCC(C)(C)n1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine?
The InChIKey is LCFUXLDCFQMPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3/c1-4-12(2,3)17-10-5-7(13)8(14)6-9(10)16-11(17)15/h5-6H,4H2,1-3H3,(H2,15,16).
What are the key properties of 6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine?
6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine has a molecular weight of 300.18 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 116738073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).