(5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione

C13H15FN2O2 — CID 75483628

IUPAC(5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione
SMILESCC[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O
InChIInChI=1S/C13H15FN2O2/c1-2-11-12(17)16(13(18)15-11)7-6-9-4-3-5-10(14)8-9/h3-5,8,11H,2,6-7H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyOBSBVXIVCRHKIN-NSHDSACASA-N
MW250.27 g/mol
LogP1.70
Rot. Bonds4

About (5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione

(5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 75483628) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is (5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione
PubChem CID75483628
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name(5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione
SMILESCC[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O
InChIInChI=1S/C13H15FN2O2/c1-2-11-12(17)16(13(18)15-11)7-6-9-4-3-5-10(14)8-9/h3-5,8,11H,2,6-7H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyOBSBVXIVCRHKIN-NSHDSACASA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64960886
6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 64960897
3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64902816
3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
CID 91641060
1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 64960861
1-[2-(3-fluorophenyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64961025
3-[1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 110209762
3-ethyl-1-[(3-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64902986
(3aS,7aS)-2-[3-(3-fluorophenyl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98572846
1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one
CID 54972964
7-[2-(3-fluorophenyl)ethyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946884
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 51867023

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione (CID 75483628) is (5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione is CC[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O.
What is the InChIKey of (5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is OBSBVXIVCRHKIN-NSHDSACASA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-2-11-12(17)16(13(18)15-11)7-6-9-4-3-5-10(14)8-9/h3-5,8,11H,2,6-7H2,1H3,(H,15,18)/t11-/m0/s1.
What are the key properties of (5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione?
(5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 250.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 75483628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).