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

C11H11FN2OS — CID 106952249

IUPAC2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(CSc2ccccc2F)NC1=O
InChIInChI=1S/C11H11FN2OS/c1-7-11(15)14-10(13-7)6-16-9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyWYDVMMUSTVEDDT-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.83
Rot. Bonds3

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

2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one (PubChem CID 106952249) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one
PubChem CID106952249
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(CSc2ccccc2F)NC1=O
InChIInChI=1S/C11H11FN2OS/c1-7-11(15)14-10(13-7)6-16-9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyWYDVMMUSTVEDDT-UHFFFAOYSA-N
XLogP1.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one (CID 106952249) is 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one is CC1N=C(CSc2ccccc2F)NC1=O.
What is the InChIKey of 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one?
The InChIKey is WYDVMMUSTVEDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-7-11(15)14-10(13-7)6-16-9-5-3-2-4-8(9)12/h2-5,7H,6H2,1H3,(H,13,14,15).
What are the key properties of 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one?
2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one has a molecular weight of 238.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).