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

C27H23N3O3S — CID 55733328

IUPAC1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccccc1-c1nc(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)cs1
InChIInChI=1S/C27H23N3O3S/c1-33-23-15-9-8-14-22(23)25-28-21(18-34-25)17-30-26(31)24(20-12-6-3-7-13-20)29(27(30)32)16-19-10-4-2-5-11-19/h2-15,18,24H,16-17H2,1H3
InChIKeyOBIVFEFRAGTYFS-UHFFFAOYSA-N
MW469.57 g/mol
LogP5.52
Rot. Bonds7

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

1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 55733328) has the molecular formula C27H23N3O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is 1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID55733328
Molecular FormulaC27H23N3O3S
Molecular Weight469.57 g/mol
Exact Mass469.15
IUPAC Name1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccccc1-c1nc(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)cs1
InChIInChI=1S/C27H23N3O3S/c1-33-23-15-9-8-14-22(23)25-28-21(18-34-25)17-30-26(31)24(20-12-6-3-7-13-20)29(27(30)32)16-19-10-4-2-5-11-19/h2-15,18,24H,16-17H2,1H3
InChIKeyOBIVFEFRAGTYFS-UHFFFAOYSA-N
XLogP5.52
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.57
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione (CID 55733328) is 1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione is COc1ccccc1-c1nc(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)cs1.
What is the InChIKey of 1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is OBIVFEFRAGTYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3S/c1-33-23-15-9-8-14-22(23)25-28-21(18-34-25)17-30-26(31)24(20-12-6-3-7-13-20)29(27(30)32)16-19-10-4-2-5-11-19/h2-15,18,24H,16-17H2,1H3.
What are the key properties of 1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione?
1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 469.57 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 55733328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).