3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

C22H21N3O2S — CID 55733734

IUPAC3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(Cc2csc(Cc3ccccc3)n2)C1=O
InChIInChI=1S/C22H21N3O2S/c1-2-22(17-11-7-4-8-12-17)20(26)25(21(27)24-22)14-18-15-28-19(23-18)13-16-9-5-3-6-10-16/h3-12,15H,2,13-14H2,1H3,(H,24,27)
InChIKeyJJRBLZFUXVIPIQ-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.09
Rot. Bonds6

About 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 55733734) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID55733734
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(Cc2csc(Cc3ccccc3)n2)C1=O
InChIInChI=1S/C22H21N3O2S/c1-2-22(17-11-7-4-8-12-17)20(26)25(21(27)24-22)14-18-15-28-19(23-18)13-16-9-5-3-6-10-16/h3-12,15H,2,13-14H2,1H3,(H,24,27)
InChIKeyJJRBLZFUXVIPIQ-UHFFFAOYSA-N
XLogP4.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 52617959
3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 24576766
5-ethyl-5-(4-fluorophenyl)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 55733924
(5S)-3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7242730
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 47004621
5-ethyl-5-phenyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529154
N-[4-[(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24617051
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51929516
5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 51227984
(5R)-5-ethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 51982999
5-ethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 18166881
3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958

Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 55733734) is 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is CCC1(c2ccccc2)NC(=O)N(Cc2csc(Cc3ccccc3)n2)C1=O.
What is the InChIKey of 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is JJRBLZFUXVIPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-2-22(17-11-7-4-8-12-17)20(26)25(21(27)24-22)14-18-15-28-19(23-18)13-16-9-5-3-6-10-16/h3-12,15H,2,13-14H2,1H3,(H,24,27).
What are the key properties of 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 391.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 55733734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).