5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one

C14H11FN2OS — CID 23455871

IUPAC5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one
SMILESCSc1ccc(-n2c(=O)[nH]c3ccc(F)cc32)cc1
InChIInChI=1S/C14H11FN2OS/c1-19-11-5-3-10(4-6-11)17-13-8-9(15)2-7-12(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKeyURKWWCAOUYVGIY-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.18
Rot. Bonds2

About 5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one

5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one (PubChem CID 23455871) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one
PubChem CID23455871
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one
SMILESCSc1ccc(-n2c(=O)[nH]c3ccc(F)cc32)cc1
InChIInChI=1S/C14H11FN2OS/c1-19-11-5-3-10(4-6-11)17-13-8-9(15)2-7-12(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKeyURKWWCAOUYVGIY-UHFFFAOYSA-N
XLogP3.18
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one (CID 23455871) is 5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one is CSc1ccc(-n2c(=O)[nH]c3ccc(F)cc32)cc1.
What is the InChIKey of 5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one?
The InChIKey is URKWWCAOUYVGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c1-19-11-5-3-10(4-6-11)17-13-8-9(15)2-7-12(13)16-14(17)18/h2-8H,1H3,(H,16,18).
What are the key properties of 5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one?
5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one has a molecular weight of 274.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-methylsulfanylphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 23455871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).