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

C12H10BrFN4S — CID 116738217

IUPAC6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
SMILESCc1ncc(Cn2c(N)nc3cc(F)c(Br)cc32)s1
InChIInChI=1S/C12H10BrFN4S/c1-6-16-4-7(19-6)5-18-11-2-8(13)9(14)3-10(11)17-12(18)15/h2-4H,5H2,1H3,(H2,15,17)
InChIKeyZDIJGMUNRIWKMR-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.33
Rot. Bonds2

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

6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine (PubChem CID 116738217) has the molecular formula C12H10BrFN4S and a molecular weight of 341.21 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
PubChem CID116738217
Molecular FormulaC12H10BrFN4S
Molecular Weight341.21 g/mol
Exact Mass339.98
IUPAC Name6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
SMILESCc1ncc(Cn2c(N)nc3cc(F)c(Br)cc32)s1
InChIInChI=1S/C12H10BrFN4S/c1-6-16-4-7(19-6)5-18-11-2-8(13)9(14)3-10(11)17-12(18)15/h2-4H,5H2,1H3,(H2,15,17)
InChIKeyZDIJGMUNRIWKMR-UHFFFAOYSA-N
XLogP3.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375048
6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79306867
6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine
CID 116737993
5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 81177907
5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 66087655
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
5-[[2-(1-chloroethyl)-6-fluoro-5-iodobenzimidazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 66093646
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456
6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine
CID 103462895
5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66086489
6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 116738009
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine (CID 116738217) is 6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine is Cc1ncc(Cn2c(N)nc3cc(F)c(Br)cc32)s1.
What is the InChIKey of 6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine?
The InChIKey is ZDIJGMUNRIWKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4S/c1-6-16-4-7(19-6)5-18-11-2-8(13)9(14)3-10(11)17-12(18)15/h2-4H,5H2,1H3,(H2,15,17).
What are the key properties of 6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine?
6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine has a molecular weight of 341.21 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 116738217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).