(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione

C23H27FN2O3 — CID 7264499

IUPAC(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C23H27FN2O3/c1-2-23(17-3-5-18(24)6-4-17)20(28)26(21(29)25-23)13-19(27)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,2,7-13H2,1H3,(H,25,29)/t14?,15?,16?,22?,23-/m1/s1
InChIKeyJPVMGHHHDZQECN-VFFMXWPCSA-N
MW398.48 g/mol
LogP3.77
Rot. Bonds5

About (5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione

(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 7264499) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is (5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID7264499
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C23H27FN2O3/c1-2-23(17-3-5-18(24)6-4-17)20(28)26(21(29)25-23)13-19(27)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,2,7-13H2,1H3,(H,25,29)/t14?,15?,16?,22?,23-/m1/s1
InChIKeyJPVMGHHHDZQECN-VFFMXWPCSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571131
(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 7264837
(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242527
N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804739
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 7181289
N,N-bis[(2S)-butan-2-yl]-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571100
N-(1-adamantyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242749
tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 4680291
(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181317
N-ethyl-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7875401
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 16615032
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 4804767

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 7264499) is (5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O.
What is the InChIKey of (5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is JPVMGHHHDZQECN-VFFMXWPCSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-2-23(17-3-5-18(24)6-4-17)20(28)26(21(29)25-23)13-19(27)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,2,7-13H2,1H3,(H,25,29)/t14?,15?,16?,22?,23-/m1/s1.
What are the key properties of (5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 398.48 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7264499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).