3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione

C16H15FN2O3S — CID 51106602

IUPAC3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESCC1(c2ccsc2)NC(=O)N(CC(O)c2ccccc2F)C1=O
InChIInChI=1S/C16H15FN2O3S/c1-16(10-6-7-23-9-10)14(21)19(15(22)18-16)8-13(20)11-4-2-3-5-12(11)17/h2-7,9,13,20H,8H2,1H3,(H,18,22)
InChIKeyGAKNXKHRWOEDRW-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.39
Rot. Bonds4

About 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione

3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 51106602) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID51106602
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESCC1(c2ccsc2)NC(=O)N(CC(O)c2ccccc2F)C1=O
InChIInChI=1S/C16H15FN2O3S/c1-16(10-6-7-23-9-10)14(21)19(15(22)18-16)8-13(20)11-4-2-3-5-12(11)17/h2-7,9,13,20H,8H2,1H3,(H,18,22)
InChIKeyGAKNXKHRWOEDRW-UHFFFAOYSA-N
XLogP2.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)oxalamide
CID 56764063
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 56792953
N-[2-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 75496113
(4S)-3'-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 8312622
(4S)-3'-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 8312624
(4R)-3'-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 8312626
(4R)-3'-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 8312628
(5S)-5-(2,5-difluorophenyl)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 8313387
(5R)-5-(2,5-difluorophenyl)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 8313388
(5S)-5-(2,5-difluorophenyl)-3-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 8313389
(5R)-5-(2,5-difluorophenyl)-3-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 8313390
(5S)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 36074985

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione (CID 51106602) is 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione is CC1(c2ccsc2)NC(=O)N(CC(O)c2ccccc2F)C1=O.
What is the InChIKey of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is GAKNXKHRWOEDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-16(10-6-7-23-9-10)14(21)19(15(22)18-16)8-13(20)11-4-2-3-5-12(11)17/h2-7,9,13,20H,8H2,1H3,(H,18,22).
What are the key properties of 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 334.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 51106602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).