(5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

C23H25FN2O3 — CID 7621362

IUPAC(5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(C)cc2C)C1=O
InChIInChI=1S/C23H25FN2O3/c1-4-5-12-23(17-7-9-18(24)10-8-17)21(28)26(22(29)25-23)14-20(27)19-11-6-15(2)13-16(19)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,25,29)/t23-/m1/s1
InChIKeyWZNRHUUOMVJOOX-HSZRJFAPSA-N
MW396.46 g/mol
LogP4.26
Rot. Bonds7

About (5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

(5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 7621362) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is (5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID7621362
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name(5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(C)cc2C)C1=O
InChIInChI=1S/C23H25FN2O3/c1-4-5-12-23(17-7-9-18(24)10-8-17)21(28)26(22(29)25-23)14-20(27)19-11-6-15(2)13-16(19)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,25,29)/t23-/m1/s1
InChIKeyWZNRHUUOMVJOOX-HSZRJFAPSA-N
XLogP4.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 16615032
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 7622092
(5S)-5-butyl-5-(4-fluorophenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 8675979
(5S)-5-butyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7622401
(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 40927642
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 7621709
(5R)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622583
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
ethyl N-[2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 7621289
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7620481
N-(2,4-dimethylphenyl)-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7264774

Frequently Asked Questions

What is the IUPAC name of (5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 7621362) is (5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(C)cc2C)C1=O.
What is the InChIKey of (5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is WZNRHUUOMVJOOX-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-4-5-12-23(17-7-9-18(24)10-8-17)21(28)26(22(29)25-23)14-20(27)19-11-6-15(2)13-16(19)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,25,29)/t23-/m1/s1.
What are the key properties of (5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
(5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 396.46 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7621362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).