6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine

C13H17BrFN3 — CID 103462895

IUPAC6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine
SMILESCCC(C)(C)Cn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C13H17BrFN3/c1-4-13(2,3)7-18-11-5-8(14)9(15)6-10(11)17-12(18)16/h5-6H,4,7H2,1-3H3,(H2,16,17)
InChIKeyIPTSWIBQQAFYJQ-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.96
Rot. Bonds3

About 6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine

6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine (PubChem CID 103462895) has the molecular formula C13H17BrFN3 and a molecular weight of 314.20 g/mol. Its IUPAC name is 6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine
PubChem CID103462895
Molecular FormulaC13H17BrFN3
Molecular Weight314.20 g/mol
Exact Mass313.06
IUPAC Name6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine
SMILESCCC(C)(C)Cn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C13H17BrFN3/c1-4-13(2,3)7-18-11-5-8(14)9(15)6-10(11)17-12(18)16/h5-6H,4,7H2,1-3H3,(H2,16,17)
InChIKeyIPTSWIBQQAFYJQ-UHFFFAOYSA-N
XLogP3.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine
CID 116738001
6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine
CID 116738073
1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine
CID 103462884
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456
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
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682
6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine
CID 116737993
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
6-bromo-5-fluoro-1-(4-methylsulfanylbutyl)benzimidazol-2-amine
CID 116738528
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-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine (CID 103462895) is 6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine is CCC(C)(C)Cn1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is IPTSWIBQQAFYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN3/c1-4-13(2,3)7-18-11-5-8(14)9(15)6-10(11)17-12(18)16/h5-6H,4,7H2,1-3H3,(H2,16,17).
What are the key properties of 6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine?
6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine has a molecular weight of 314.20 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 103462895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).