(5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C22H24N2O3 — CID 7171078

IUPAC(5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCCc1ccc(CC)c(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1
InChIInChI=1S/C22H24N2O3/c1-4-15-11-12-16(5-2)18(13-15)19(25)14-24-20(26)22(3,23-21(24)27)17-9-7-6-8-10-17/h6-13H,4-5,14H2,1-3H3,(H,23,27)/t22-/m0/s1
InChIKeyNEFXABOYLHSGCF-QFIPXVFZSA-N
MW364.45 g/mol
LogP3.46
Rot. Bonds6

About (5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione

(5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 7171078) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID7171078
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCCc1ccc(CC)c(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1
InChIInChI=1S/C22H24N2O3/c1-4-15-11-12-16(5-2)18(13-15)19(25)14-24-20(26)22(3,23-21(24)27)17-9-7-6-8-10-17/h6-13H,4-5,14H2,1-3H3,(H,23,27)/t22-/m0/s1
InChIKeyNEFXABOYLHSGCF-QFIPXVFZSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.46
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

5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42982560
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7277195
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 42982609
(5R)-3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242269
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42986805
(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242493
(5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580074
N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide
CID 40764733
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815454
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
(5R)-3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580160
(5R)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580032

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 7171078) is (5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione is CCc1ccc(CC)c(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1.
What is the InChIKey of (5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is NEFXABOYLHSGCF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-15-11-12-16(5-2)18(13-15)19(25)14-24-20(26)22(3,23-21(24)27)17-9-7-6-8-10-17/h6-13H,4-5,14H2,1-3H3,(H,23,27)/t22-/m0/s1.
What are the key properties of (5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 7171078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).