2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole

C15H9FN2S — CID 168555432

IUPAC2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole
SMILESFc1ccc2sccc2c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C15H9FN2S/c16-10-5-6-13-9(7-8-19-13)14(10)15-17-11-3-1-2-4-12(11)18-15/h1-8H,(H,17,18)
InChIKeyYIRNJSWFPMHCFX-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.58
Rot. Bonds1

About 2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole

2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole (PubChem CID 168555432) has the molecular formula C15H9FN2S and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole
PubChem CID168555432
Molecular FormulaC15H9FN2S
Molecular Weight268.32 g/mol
Exact Mass268.05
IUPAC Name2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole
SMILESFc1ccc2sccc2c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C15H9FN2S/c16-10-5-6-13-9(7-8-19-13)14(10)15-17-11-3-1-2-4-12(11)18-15/h1-8H,(H,17,18)
InChIKeyYIRNJSWFPMHCFX-UHFFFAOYSA-N
XLogP4.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-1-benzothiophen-6-yl)-1H-benzimidazole
CID 168555424
2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole
CID 168555419
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole
CID 168555540
4-(1H-benzimidazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole
CID 141368913
2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole
CID 22475730
6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
CID 168555282
CID 121235374
CID 121235374
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole
CID 168553940
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole (CID 168555432) is 2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole is Fc1ccc2sccc2c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole?
The InChIKey is YIRNJSWFPMHCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2S/c16-10-5-6-13-9(7-8-19-13)14(10)15-17-11-3-1-2-4-12(11)18-15/h1-8H,(H,17,18).
What are the key properties of 2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole?
2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole has a molecular weight of 268.32 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole is sourced from PubChem (CID 168555432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).