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

C10H9FN2OS — CID 106951852

IUPAC2-[(2-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(CSc2ccccc2F)N1
InChIInChI=1S/C10H9FN2OS/c11-7-3-1-2-4-8(7)15-6-9-12-5-10(14)13-9/h1-4H,5-6H2,(H,12,13,14)
InChIKeyGAEYYQISGQYVTB-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.45
Rot. Bonds3

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

2-[(2-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one (PubChem CID 106951852) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one
PubChem CID106951852
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-[(2-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(CSc2ccccc2F)N1
InChIInChI=1S/C10H9FN2OS/c11-7-3-1-2-4-8(7)15-6-9-12-5-10(14)13-9/h1-4H,5-6H2,(H,12,13,14)
InChIKeyGAEYYQISGQYVTB-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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Related Compounds

2-Phenylthiomethyl-2-imidazoline
CID 21608213
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide
CID 977158
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 7535009
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 47099494
2-[(2-fluorophenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 66053623
2-[(3-fluorophenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 66070796
2-[(4-fluorophenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 66071979
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 66314705
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-1H-pyrimidin-6-one
CID 66314717
2-[(4-fluorophenyl)sulfanylmethyl]-5-iodo-1H-pyrimidin-6-one
CID 66315954
5-bromo-2-[(4-fluorophenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 66316149
2-[(3-fluorophenyl)sulfanylmethyl]-5-iodo-1H-pyrimidin-6-one
CID 66316790

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one (CID 106951852) is 2-[(2-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(2-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one is O=C1CN=C(CSc2ccccc2F)N1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one?
The InChIKey is GAEYYQISGQYVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c11-7-3-1-2-4-8(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-[(2-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one?
2-[(2-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-[(2-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).