5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione

C20H23N3O4S — CID 56522221

IUPAC5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCC(C)CCc1nc(CN2C(=O)NC(C)(c3ccc4c(c3)OCO4)C2=O)cs1
InChIInChI=1S/C20H23N3O4S/c1-12(2)4-7-17-21-14(10-28-17)9-23-18(24)20(3,22-19(23)25)13-5-6-15-16(8-13)27-11-26-15/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,22,25)
InChIKeyPHHQVCZIUUDKJF-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.43
Rot. Bonds6

About 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione

5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 56522221) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID56522221
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCC(C)CCc1nc(CN2C(=O)NC(C)(c3ccc4c(c3)OCO4)C2=O)cs1
InChIInChI=1S/C20H23N3O4S/c1-12(2)4-7-17-21-14(10-28-17)9-23-18(24)20(3,22-19(23)25)13-5-6-15-16(8-13)27-11-26-15/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,22,25)
InChIKeyPHHQVCZIUUDKJF-UHFFFAOYSA-N
XLogP3.43
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56521213
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 24629572
(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094699
(5S)-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 95343380
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-methylpropyl)imidazolidine-2,4-dione
CID 17480412
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7359271
5-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17400223
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
(5R)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 36526371
5-(1,3-benzodioxol-5-yl)-3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 55479686
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 126829801

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione (CID 56522221) is 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione is CC(C)CCc1nc(CN2C(=O)NC(C)(c3ccc4c(c3)OCO4)C2=O)cs1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is PHHQVCZIUUDKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-12(2)4-7-17-21-14(10-28-17)9-23-18(24)20(3,22-19(23)25)13-5-6-15-16(8-13)27-11-26-15/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,22,25).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione?
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 401.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56522221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).