(5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione

C20H18N4O4S2 — CID 92538299

IUPAC(5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@@H](CSSC[C@H]2NC(=O)N(c3ccccc3)C2=O)C(=O)N1c1ccccc1
InChIInChI=1S/C20H18N4O4S2/c25-17-15(21-19(27)23(17)13-7-3-1-4-8-13)11-29-30-12-16-18(26)24(20(28)22-16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,27)(H,22,28)/t15-,16+
InChIKeyLWWOTFAGDSYYIA-IYBDPMFKSA-N
MW442.52 g/mol
LogP2.62
Rot. Bonds7

About (5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione

(5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione (PubChem CID 92538299) has the molecular formula C20H18N4O4S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is (5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione
PubChem CID92538299
Molecular FormulaC20H18N4O4S2
Molecular Weight442.52 g/mol
Exact Mass442.08
IUPAC Name(5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@@H](CSSC[C@H]2NC(=O)N(c3ccccc3)C2=O)C(=O)N1c1ccccc1
InChIInChI=1S/C20H18N4O4S2/c25-17-15(21-19(27)23(17)13-7-3-1-4-8-13)11-29-30-12-16-18(26)24(20(28)22-16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,27)(H,22,28)/t15-,16+
InChIKeyLWWOTFAGDSYYIA-IYBDPMFKSA-N
XLogP2.62
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione
CID 102029363
methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate
CID 164674956
5-(2-hydroxyethylsulfanylmethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 101013104
methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate
CID 91822490
2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 3047053
5-(2-bromophenyl)-3-phenylimidazolidine-2,4-dione
CID 142772512
(4aS,8aS)-3-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 91738144
(5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione
CID 871927
(4aR,7aS)-3-phenyl-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione
CID 14666787
2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid
CID 124848217
5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
CID 152763908
S-[[1-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,5-dioxoimidazolidin-4-yl]methyl] ethanethioate
CID 152763907

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione (CID 92538299) is (5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione is O=C1N[C@@H](CSSC[C@H]2NC(=O)N(c3ccccc3)C2=O)C(=O)N1c1ccccc1.
What is the InChIKey of (5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione?
The InChIKey is LWWOTFAGDSYYIA-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H18N4O4S2/c25-17-15(21-19(27)23(17)13-7-3-1-4-8-13)11-29-30-12-16-18(26)24(20(28)22-16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,27)(H,22,28)/t15-,16+.
What are the key properties of (5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione?
(5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione has a molecular weight of 442.52 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 92538299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).