6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole

C11H7FN2OS — CID 141163644

IUPAC6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole
SMILESFc1ccc2nc(Sc3ccco3)[nH]c2c1
InChIInChI=1S/C11H7FN2OS/c12-7-3-4-8-9(6-7)14-11(13-8)16-10-2-1-5-15-10/h1-6H,(H,13,14)
InChIKeyPHQGCRYLBSMSHJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.45
Rot. Bonds2

About 6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole

6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole (PubChem CID 141163644) has the molecular formula C11H7FN2OS and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole
PubChem CID141163644
Molecular FormulaC11H7FN2OS
Molecular Weight234.26 g/mol
Exact Mass234.03
IUPAC Name6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole
SMILESFc1ccc2nc(Sc3ccco3)[nH]c2c1
InChIInChI=1S/C11H7FN2OS/c12-7-3-4-8-9(6-7)14-11(13-8)16-10-2-1-5-15-10/h1-6H,(H,13,14)
InChIKeyPHQGCRYLBSMSHJ-UHFFFAOYSA-N
XLogP3.45
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2E)-2-(1H-benzimidazol-2-yl)-3-[5-(phenylsulfanyl)furan-2-yl]prop-2-enenitrile
CID 5817505
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 6886508
(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 2187558
(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 2189117
2-[(E)-2-(furan-2-yl)ethenyl]-1H-benzimidazole
CID 5343732
5-{[5-(1H-benzimidazol-2-ylsulfanyl)-2-furyl]methylene}-3-sec-butyl-1,3-thiazolidine-2,4-dione
CID 6151198
(5E)-5-{[5-(1H-benzimidazol-2-ylthio)-2-furyl]methylene}-3-isopropyl-1,3-thiazolidine-2,4-dione
CID 7326481
2-{[2-(2-fluorophenoxy)ethyl]sulfanyl}-1H-benzimidazole
CID 1721207
5-(1H-Benzimidazol-2-ylsulfanyl)-2-furaldehyde
CID 698427
3-[5-(1H-benzimidazol-2-ylthio)-2-furyl]-2-phenylacrylonitrile
CID 875263
(2E)-3-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 1250318
5-{[5-(1H-benzimidazol-2-ylthio)-2-furyl]methylene}-1-(2-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1338937

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole (CID 141163644) is 6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole is Fc1ccc2nc(Sc3ccco3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole?
The InChIKey is PHQGCRYLBSMSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2OS/c12-7-3-4-8-9(6-7)14-11(13-8)16-10-2-1-5-15-10/h1-6H,(H,13,14).
What are the key properties of 6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole?
6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole has a molecular weight of 234.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(furan-2-ylsulfanyl)-1H-benzimidazole is sourced from PubChem (CID 141163644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).