6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine

C14H20BrFN4 — CID 116738001

IUPAC6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine
SMILESCN(C)CC(C)(C)Cn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C14H20BrFN4/c1-14(2,7-19(3)4)8-20-12-5-9(15)10(16)6-11(12)18-13(20)17/h5-6H,7-8H2,1-4H3,(H2,17,18)
InChIKeyGHJSMKYAQPMAHZ-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.11
Rot. Bonds4

About 6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine

6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine (PubChem CID 116738001) has the molecular formula C14H20BrFN4 and a molecular weight of 343.24 g/mol. Its IUPAC name is 6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine
PubChem CID116738001
Molecular FormulaC14H20BrFN4
Molecular Weight343.24 g/mol
Exact Mass342.09
IUPAC Name6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine
SMILESCN(C)CC(C)(C)Cn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C14H20BrFN4/c1-14(2,7-19(3)4)8-20-12-5-9(15)10(16)6-11(12)18-13(20)17/h5-6H,7-8H2,1-4H3,(H2,17,18)
InChIKeyGHJSMKYAQPMAHZ-UHFFFAOYSA-N
XLogP3.11
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine
CID 103462895
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 116738123
6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine
CID 116738307
6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine
CID 116738073
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456
1-[3-(dimethylamino)-2,2-dimethylpropyl]imidazo[4,5-c]pyridin-2-amine
CID 79295875
6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine
CID 116738400
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine
CID 116737993
6-bromo-1-[(1-ethylcyclopropyl)methyl]-5-fluorobenzimidazol-2-amine
CID 114101078
6-bromo-5-fluoro-1-(4-methylsulfanylbutyl)benzimidazol-2-amine
CID 116738528
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine (CID 116738001) is 6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine is CN(C)CC(C)(C)Cn1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine?
The InChIKey is GHJSMKYAQPMAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN4/c1-14(2,7-19(3)4)8-20-12-5-9(15)10(16)6-11(12)18-13(20)17/h5-6H,7-8H2,1-4H3,(H2,17,18).
What are the key properties of 6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine?
6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine has a molecular weight of 343.24 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 116738001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).