N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide

C22H26N4O3S — CID 17423661

IUPACN-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCCC2c2cccs2)C1=O
InChIInChI=1S/C22H26N4O3S/c1-22(12-11-16-7-3-2-4-8-16)20(28)26(21(29)23-22)24-19(27)15-25-13-5-9-17(25)18-10-6-14-30-18/h2-4,6-8,10,14,17H,5,9,11-13,15H2,1H3,(H,23,29)(H,24,27)
InChIKeyYRQLMNONXCGWBO-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.86
Rot. Bonds7

About N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide (PubChem CID 17423661) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
PubChem CID17423661
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCCC2c2cccs2)C1=O
InChIInChI=1S/C22H26N4O3S/c1-22(12-11-16-7-3-2-4-8-16)20(28)26(21(29)23-22)24-19(27)15-25-13-5-9-17(25)18-10-6-14-30-18/h2-4,6-8,10,14,17H,5,9,11-13,15H2,1H3,(H,23,29)(H,24,27)
InChIKeyYRQLMNONXCGWBO-UHFFFAOYSA-N
XLogP2.86
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46594483
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-piperidin-1-ylacetamide
CID 18087188
N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 25398053
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
2-[(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 124866401
2-[(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 96538204
2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 71855524
N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580785
1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 40880368
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 55828676
2-(4-benzoylpiperazin-1-yl)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40881853
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31434334

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide (CID 17423661) is N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide is CC1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCCC2c2cccs2)C1=O.
What is the InChIKey of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The InChIKey is YRQLMNONXCGWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-22(12-11-16-7-3-2-4-8-16)20(28)26(21(29)23-22)24-19(27)15-25-13-5-9-17(25)18-10-6-14-30-18/h2-4,6-8,10,14,17H,5,9,11-13,15H2,1H3,(H,23,29)(H,24,27).
What are the key properties of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide has a molecular weight of 426.54 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 17423661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).