5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine

C13H11ClFN3S — CID 66076958

IUPAC5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1CCc1ccsc1
InChIInChI=1S/C13H11ClFN3S/c14-9-5-11-12(6-10(9)15)18(13(16)17-11)3-1-8-2-4-19-7-8/h2,4-7H,1,3H2,(H2,16,17)
InChIKeyRZYFYAARFFGMKB-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.72
Rot. Bonds3

About 5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine

5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine (PubChem CID 66076958) has the molecular formula C13H11ClFN3S and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine
PubChem CID66076958
Molecular FormulaC13H11ClFN3S
Molecular Weight295.77 g/mol
Exact Mass295.03
IUPAC Name5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1CCc1ccsc1
InChIInChI=1S/C13H11ClFN3S/c14-9-5-11-12(6-10(9)15)18(13(16)17-11)3-1-8-2-4-19-7-8/h2,4-7H,1,3H2,(H2,16,17)
InChIKeyRZYFYAARFFGMKB-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine
CID 66078679
5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008434
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326375
5-chloro-6-fluoro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520923
6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66099992
5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 114186520
5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66078721
5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine
CID 66078119
6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406198
5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine
CID 66077162
6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
CID 106431752

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine (CID 66076958) is 5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine is Nc1nc2cc(Cl)c(F)cc2n1CCc1ccsc1.
What is the InChIKey of 5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine?
The InChIKey is RZYFYAARFFGMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3S/c14-9-5-11-12(6-10(9)15)18(13(16)17-11)3-1-8-2-4-19-7-8/h2,4-7H,1,3H2,(H2,16,17).
What are the key properties of 5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine?
5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine has a molecular weight of 295.77 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 66076958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).