2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide

C11H12BrFN4O — CID 116738123

IUPAC2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C11H12BrFN4O/c1-16(2)10(18)5-17-9-3-6(12)7(13)4-8(9)15-11(17)14/h3-4H,5H2,1-2H3,(H2,14,15)
InChIKeyWMTRFIONLSMPMX-UHFFFAOYSA-N
MW315.15 g/mol
LogP1.61
Rot. Bonds2

About 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide

2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide (PubChem CID 116738123) has the molecular formula C11H12BrFN4O and a molecular weight of 315.15 g/mol. Its IUPAC name is 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
PubChem CID116738123
Molecular FormulaC11H12BrFN4O
Molecular Weight315.15 g/mol
Exact Mass314.02
IUPAC Name2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C11H12BrFN4O/c1-16(2)10(18)5-17-9-3-6(12)7(13)4-8(9)15-11(17)14/h3-4H,5H2,1-2H3,(H2,14,15)
InChIKeyWMTRFIONLSMPMX-UHFFFAOYSA-N
XLogP1.61
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 65347169
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N,N-diethylacetamide
CID 82359120
6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine
CID 116738001
3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide
CID 116738268
6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine
CID 116738307
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-(2-cyanoethyl)-N-methylacetamide
CID 82359192
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-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine
CID 103462895
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 82359191
6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine
CID 116738400

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide (CID 116738123) is 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide?
The InChIKey is WMTRFIONLSMPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN4O/c1-16(2)10(18)5-17-9-3-6(12)7(13)4-8(9)15-11(17)14/h3-4H,5H2,1-2H3,(H2,14,15).
What are the key properties of 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide?
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide has a molecular weight of 315.15 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 116738123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).