2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide

C13H16BrN3O3S — CID 51135440

IUPAC2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)NC(C)(c2ccc(Br)s2)C1=O
InChIInChI=1S/C13H16BrN3O3S/c1-3-6-15-10(18)7-17-11(19)13(2,16-12(17)20)8-4-5-9(14)21-8/h4-5H,3,6-7H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyJTONXMIIRNARDB-UHFFFAOYSA-N
MW374.26 g/mol
LogP1.80
Rot. Bonds5

About 2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide

2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (PubChem CID 51135440) has the molecular formula C13H16BrN3O3S and a molecular weight of 374.26 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
PubChem CID51135440
Molecular FormulaC13H16BrN3O3S
Molecular Weight374.26 g/mol
Exact Mass373.01
IUPAC Name2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)NC(C)(c2ccc(Br)s2)C1=O
InChIInChI=1S/C13H16BrN3O3S/c1-3-6-15-10(18)7-17-11(19)13(2,16-12(17)20)8-4-5-9(14)21-8/h4-5H,3,6-7H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyJTONXMIIRNARDB-UHFFFAOYSA-N
XLogP1.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-pentylacetamide
CID 51288708
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 4532304
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40747967
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 2581674
2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 7595226
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 18777504
2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 94814614
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 7691962
N-butyl-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962151

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (CID 51135440) is 2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1C(=O)NC(C)(c2ccc(Br)s2)C1=O.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The InChIKey is JTONXMIIRNARDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3S/c1-3-6-15-10(18)7-17-11(19)13(2,16-12(17)20)8-4-5-9(14)21-8/h4-5H,3,6-7H2,1-2H3,(H,15,18)(H,16,20).
What are the key properties of 2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide has a molecular weight of 374.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 51135440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).