6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine

C13H12BrFN4S — CID 116738376

IUPAC6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
SMILESCc1csc(C(C)n2c(N)nc3cc(F)c(Br)cc32)n1
InChIInChI=1S/C13H12BrFN4S/c1-6-5-20-12(17-6)7(2)19-11-3-8(14)9(15)4-10(11)18-13(19)16/h3-5,7H,1-2H3,(H2,16,18)
InChIKeyUXTUNEWKYIVIIH-UHFFFAOYSA-N
MW355.24 g/mol
LogP3.89
Rot. Bonds2

About 6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine

6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine (PubChem CID 116738376) has the molecular formula C13H12BrFN4S and a molecular weight of 355.24 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
PubChem CID116738376
Molecular FormulaC13H12BrFN4S
Molecular Weight355.24 g/mol
Exact Mass354.00
IUPAC Name6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
SMILESCc1csc(C(C)n2c(N)nc3cc(F)c(Br)cc32)n1
InChIInChI=1S/C13H12BrFN4S/c1-6-5-20-12(17-6)7(2)19-11-3-8(14)9(15)4-10(11)18-13(19)16/h3-5,7H,1-2H3,(H2,16,18)
InChIKeyUXTUNEWKYIVIIH-UHFFFAOYSA-N
XLogP3.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 66088258
6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine
CID 116738194
6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 116738133
5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66087858
6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 116738290
6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine
CID 116738302
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide
CID 116738488
5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 66086898
5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
CID 103592746
2-[1-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-5-methyl-1,3-thiazole
CID 116739306
5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine
CID 66087095
2-[1-[6-bromo-2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 116739157

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine (CID 116738376) is 6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine is Cc1csc(C(C)n2c(N)nc3cc(F)c(Br)cc32)n1.
What is the InChIKey of 6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The InChIKey is UXTUNEWKYIVIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN4S/c1-6-5-20-12(17-6)7(2)19-11-3-8(14)9(15)4-10(11)18-13(19)16/h3-5,7H,1-2H3,(H2,16,18).
What are the key properties of 6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine has a molecular weight of 355.24 g/mol, XLogP of 3.89, 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-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 116738376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).