5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine

C11H13BrFN3OS — CID 113484209

IUPAC5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2cc(Br)c(F)cc21)S(C)=O
InChIInChI=1S/C11H13BrFN3OS/c1-6(18(2)17)5-16-10-4-8(13)7(12)3-9(10)15-11(16)14/h3-4,6H,5H2,1-2H3,(H2,14,15)
InChIKeyVEDQUVQXEMVILB-UHFFFAOYSA-N
MW334.21 g/mol
LogP2.29
Rot. Bonds3

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

5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine (PubChem CID 113484209) has the molecular formula C11H13BrFN3OS and a molecular weight of 334.21 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine
PubChem CID113484209
Molecular FormulaC11H13BrFN3OS
Molecular Weight334.21 g/mol
Exact Mass332.99
IUPAC Name5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2cc(Br)c(F)cc21)S(C)=O
InChIInChI=1S/C11H13BrFN3OS/c1-6(18(2)17)5-16-10-4-8(13)7(12)3-9(10)15-11(16)14/h3-4,6H,5H2,1-2H3,(H2,14,15)
InChIKeyVEDQUVQXEMVILB-UHFFFAOYSA-N
XLogP2.29
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 116738265
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682
5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66086489
6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine
CID 116738400
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 116738123
5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 66086898
ethyl 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)butanoate
CID 66088450
5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine
CID 107414278
5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375048
5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 66088828

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine (CID 113484209) is 5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine is CC(Cn1c(N)nc2cc(Br)c(F)cc21)S(C)=O.
What is the InChIKey of 5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine?
The InChIKey is VEDQUVQXEMVILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3OS/c1-6(18(2)17)5-16-10-4-8(13)7(12)3-9(10)15-11(16)14/h3-4,6H,5H2,1-2H3,(H2,14,15).
What are the key properties of 5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine?
5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine has a molecular weight of 334.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 113484209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).