[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate

C19H24N4O3S2 — CID 8580961

IUPAC[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSC(=S)N2CCCC2)C1=O
InChIInChI=1S/C19H24N4O3S2/c1-19(10-9-14-7-3-2-4-8-14)16(25)23(17(26)20-19)21-15(24)13-28-18(27)22-11-5-6-12-22/h2-4,7-8H,5-6,9-13H2,1H3,(H,20,26)(H,21,24)/t19-/m1/s1
InChIKeyNFFABSUZSYHBQQ-LJQANCHMSA-N
MW420.56 g/mol
LogP2.07
Rot. Bonds6

About [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate

[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate (PubChem CID 8580961) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
PubChem CID8580961
Molecular FormulaC19H24N4O3S2
Molecular Weight420.56 g/mol
Exact Mass420.13
IUPAC Name[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSC(=S)N2CCCC2)C1=O
InChIInChI=1S/C19H24N4O3S2/c1-19(10-9-14-7-3-2-4-8-14)16(25)23(17(26)20-19)21-15(24)13-28-18(27)22-11-5-6-12-22/h2-4,7-8H,5-6,9-13H2,1H3,(H,20,26)(H,21,24)/t19-/m1/s1
InChIKeyNFFABSUZSYHBQQ-LJQANCHMSA-N
XLogP2.07
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-piperidin-1-ylacetamide
CID 18087188
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
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-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9290167
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40879907
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016403
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 18088774
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 51724563
[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9133162
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 8695250

Frequently Asked Questions

What is the IUPAC name of [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate?
The IUPAC name of [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate (CID 8580961) is [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate.
What is the SMILES notation for [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate?
The canonical SMILES for [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate is C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSC(=S)N2CCCC2)C1=O.
What is the InChIKey of [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate?
The InChIKey is NFFABSUZSYHBQQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-19(10-9-14-7-3-2-4-8-14)16(25)23(17(26)20-19)21-15(24)13-28-18(27)22-11-5-6-12-22/h2-4,7-8H,5-6,9-13H2,1H3,(H,20,26)(H,21,24)/t19-/m1/s1.
What are the key properties of [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate?
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate has a molecular weight of 420.56 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate is sourced from PubChem (CID 8580961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).