4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one

C12H13FN2O2S — CID 175502426

IUPAC4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(CSCCOc2cccc(F)c2)[nH]1
InChIInChI=1S/C12H13FN2O2S/c13-9-2-1-3-11(6-9)17-4-5-18-8-10-7-14-12(16)15-10/h1-3,6-7H,4-5,8H2,(H2,14,15,16)
InChIKeyBFECPTBJEPPTGF-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.15
Rot. Bonds6

About 4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one

4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one (PubChem CID 175502426) has the molecular formula C12H13FN2O2S and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one
PubChem CID175502426
Molecular FormulaC12H13FN2O2S
Molecular Weight268.31 g/mol
Exact Mass268.07
IUPAC Name4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(CSCCOc2cccc(F)c2)[nH]1
InChIInChI=1S/C12H13FN2O2S/c13-9-2-1-3-11(6-9)17-4-5-18-8-10-7-14-12(16)15-10/h1-3,6-7H,4-5,8H2,(H2,14,15,16)
InChIKeyBFECPTBJEPPTGF-UHFFFAOYSA-N
XLogP2.15
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(4-fluorophenyl)methylsulfanyl]ethoxy]aniline
CID 82182902
4-[[2-fluoro-2-(3-fluorophenoxy)ethyl]sulfanylmethyl]-1,3-dihydroimidazole-2-thione
CID 175502296
2-(3-fluorophenoxy)ethanethiol
CID 79002331
4-[2-(3-fluorophenoxy)ethyl]-3H-[1,3]oxazolo[4,5-b]pyridin-4-ium-2-one chloride
CID 75454618
1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
1-(5-bromopentoxy)-3-fluorobenzene
CID 14575315
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
2-[2-(4-fluorophenoxy)ethylsulfanylmethyl]furan
CID 78761640
(2S)-N-[2-(3-fluorophenoxy)ethyl]-1-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazine-2-carboxamide
CID 124968589
5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 86981435
5-(3-fluorophenoxy)-2,2-dimethylpentanoic acid
CID 65255314
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one (CID 175502426) is 4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one is O=c1[nH]cc(CSCCOc2cccc(F)c2)[nH]1.
What is the InChIKey of 4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one?
The InChIKey is BFECPTBJEPPTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S/c13-9-2-1-3-11(6-9)17-4-5-18-8-10-7-14-12(16)15-10/h1-3,6-7H,4-5,8H2,(H2,14,15,16).
What are the key properties of 4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one?
4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one has a molecular weight of 268.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenoxy)ethylsulfanylmethyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 175502426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).