N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C22H18Cl2N4O3S — CID 24617042

IUPACN-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CN2C(=O)NC(C)(c3ccc(Cl)cc3Cl)C2=O)cs1
InChIInChI=1S/C22H18Cl2N4O3S/c1-13(29)28(16-6-4-3-5-7-16)21-25-15(12-32-21)11-27-19(30)22(2,26-20(27)31)17-9-8-14(23)10-18(17)24/h3-10,12H,11H2,1-2H3,(H,26,31)
InChIKeyYXZCUWZNZWBOPA-UHFFFAOYSA-N
MW489.38 g/mol
LogP5.10
Rot. Bonds5

About N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 24617042) has the molecular formula C22H18Cl2N4O3S and a molecular weight of 489.38 g/mol. Its IUPAC name is N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID24617042
Molecular FormulaC22H18Cl2N4O3S
Molecular Weight489.38 g/mol
Exact Mass488.05
IUPAC NameN-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CN2C(=O)NC(C)(c3ccc(Cl)cc3Cl)C2=O)cs1
InChIInChI=1S/C22H18Cl2N4O3S/c1-13(29)28(16-6-4-3-5-7-16)21-25-15(12-32-21)11-27-19(30)22(2,26-20(27)31)17-9-8-14(23)10-18(17)24/h3-10,12H,11H2,1-2H3,(H,26,31)
InChIKeyYXZCUWZNZWBOPA-UHFFFAOYSA-N
XLogP5.10
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.38
LogP ≤ 55.10
H-Bond Donors ≤ 51
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 N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 24617042) is N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(CN2C(=O)NC(C)(c3ccc(Cl)cc3Cl)C2=O)cs1.
What is the InChIKey of N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is YXZCUWZNZWBOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O3S/c1-13(29)28(16-6-4-3-5-7-16)21-25-15(12-32-21)11-27-19(30)22(2,26-20(27)31)17-9-8-14(23)10-18(17)24/h3-10,12H,11H2,1-2H3,(H,26,31).
What are the key properties of N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 489.38 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 24617042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).