2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one

C10H9FN2OS — CID 106951851

IUPAC2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(CSc2cccc(F)c2)N1
InChIInChI=1S/C10H9FN2OS/c11-7-2-1-3-8(4-7)15-6-9-12-5-10(14)13-9/h1-4H,5-6H2,(H,12,13,14)
InChIKeyJAOQBHBDWRGZIL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.45
Rot. Bonds3

About 2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one

2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one (PubChem CID 106951851) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one
PubChem CID106951851
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(CSc2cccc(F)c2)N1
InChIInChI=1S/C10H9FN2OS/c11-7-2-1-3-8(4-7)15-6-9-12-5-10(14)13-9/h1-4H,5-6H2,(H,12,13,14)
InChIKeyJAOQBHBDWRGZIL-UHFFFAOYSA-N
XLogP1.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one (CID 106951851) is 2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one is O=C1CN=C(CSc2cccc(F)c2)N1.
What is the InChIKey of 2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one?
The InChIKey is JAOQBHBDWRGZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c11-7-2-1-3-8(4-7)15-6-9-12-5-10(14)13-9/h1-4H,5-6H2,(H,12,13,14).
What are the key properties of 2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one?
2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one has a molecular weight of 224.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).