5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine

C12H10BrFN4S — CID 66088253

IUPAC5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1CCc1nccs1
InChIInChI=1S/C12H10BrFN4S/c13-7-5-9-10(6-8(7)14)18(12(15)17-9)3-1-11-16-2-4-19-11/h2,4-6H,1,3H2,(H2,15,17)
InChIKeyFTGUNSONJQOILV-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.22
Rot. Bonds3

About 5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine

5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine (PubChem CID 66088253) has the molecular formula C12H10BrFN4S and a molecular weight of 341.21 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
PubChem CID66088253
Molecular FormulaC12H10BrFN4S
Molecular Weight341.21 g/mol
Exact Mass339.98
IUPAC Name5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1CCc1nccs1
InChIInChI=1S/C12H10BrFN4S/c13-7-5-9-10(6-8(7)14)18(12(15)17-9)3-1-11-16-2-4-19-11/h2,4-6H,1,3H2,(H2,15,17)
InChIKeyFTGUNSONJQOILV-UHFFFAOYSA-N
XLogP3.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 103592941
5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 63240191
4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 115508865
2-[2-[6-bromo-2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 116739068
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682
5-bromo-6-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine
CID 80688890
5-bromo-6-fluoro-3-[2-(1,3-thiazol-2-yl)ethyl]-1H-benzimidazole-2-thione
CID 116737710
5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 66087655
6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
CID 116738236
ethyl 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)butanoate
CID 66088450
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine (CID 66088253) is 5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine is Nc1nc2cc(Br)c(F)cc2n1CCc1nccs1.
What is the InChIKey of 5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The InChIKey is FTGUNSONJQOILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4S/c13-7-5-9-10(6-8(7)14)18(12(15)17-9)3-1-11-16-2-4-19-11/h2,4-6H,1,3H2,(H2,15,17).
What are the key properties of 5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine has a molecular weight of 341.21 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 66088253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).