(5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione

C23H23N3O2S — CID 11925361

IUPAC(5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCC[C@@H]2c2cccs2)C1=O
InChIInChI=1S/C23H23N3O2S/c1-23(18-11-10-16-6-2-3-7-17(16)14-18)21(27)26(22(28)24-23)15-25-12-4-8-19(25)20-9-5-13-29-20/h2-3,5-7,9-11,13-14,19H,4,8,12,15H2,1H3,(H,24,28)/t19-,23+/m1/s1
InChIKeyVREFHKJCCHAXIQ-XXBNENTESA-N
MW405.52 g/mol
LogP4.46
Rot. Bonds4

About (5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 11925361) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is (5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID11925361
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name(5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCC[C@@H]2c2cccs2)C1=O
InChIInChI=1S/C23H23N3O2S/c1-23(18-11-10-16-6-2-3-7-17(16)14-18)21(27)26(22(28)24-23)15-25-12-4-8-19(25)20-9-5-13-29-20/h2-3,5-7,9-11,13-14,19H,4,8,12,15H2,1H3,(H,24,28)/t19-,23+/m1/s1
InChIKeyVREFHKJCCHAXIQ-XXBNENTESA-N
XLogP4.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
CID 124721502
(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
CID 11925371
8-tert-butyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18170818
(5S)-5-(3-chlorophenyl)-5-ethyl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
CID 11925365
5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 35429886
5-(4-chlorophenyl)-5-methyl-3-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 43027801
3-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 17479641
(5R)-5-methyl-3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 51725456
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
5-methyl-3-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55428506

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione (CID 11925361) is (5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione is C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCC[C@@H]2c2cccs2)C1=O.
What is the InChIKey of (5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is VREFHKJCCHAXIQ-XXBNENTESA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-23(18-11-10-16-6-2-3-7-17(16)14-18)21(27)26(22(28)24-23)15-25-12-4-8-19(25)20-9-5-13-29-20/h2-3,5-7,9-11,13-14,19H,4,8,12,15H2,1H3,(H,24,28)/t19-,23+/m1/s1.
What are the key properties of (5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 405.52 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 11925361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).