(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione

C24H25N3O3S — CID 124721502

IUPAC(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cc([C@]3(C)NC(=O)N(CN4CCC[C@H]4c4cccs4)C3=O)ccc2c1
InChIInChI=1S/C24H25N3O3S/c1-24(18-9-7-17-14-19(30-2)10-8-16(17)13-18)22(28)27(23(29)25-24)15-26-11-3-5-20(26)21-6-4-12-31-21/h4,6-10,12-14,20H,3,5,11,15H2,1-2H3,(H,25,29)/t20-,24-/m0/s1
InChIKeyNGIVPLBWISRNAL-RDPSFJRHSA-N
MW435.55 g/mol
LogP4.47
Rot. Bonds5

About (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione

(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 124721502) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID124721502
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cc([C@]3(C)NC(=O)N(CN4CCC[C@H]4c4cccs4)C3=O)ccc2c1
InChIInChI=1S/C24H25N3O3S/c1-24(18-9-7-17-14-19(30-2)10-8-16(17)13-18)22(28)27(23(29)25-24)15-26-11-3-5-20(26)21-6-4-12-31-21/h4,6-10,12-14,20H,3,5,11,15H2,1-2H3,(H,25,29)/t20-,24-/m0/s1
InChIKeyNGIVPLBWISRNAL-RDPSFJRHSA-N
XLogP4.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
CID 11925371
(5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
CID 11925361
(5S)-3-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 11925196
(5R)-3-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 11925198
(5S)-3-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 41311848
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
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446683
(5S)-3-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41176561
5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 35429886
(5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 41144002
N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17415661

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione (CID 124721502) is (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione is COc1ccc2cc([C@]3(C)NC(=O)N(CN4CCC[C@H]4c4cccs4)C3=O)ccc2c1.
What is the InChIKey of (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is NGIVPLBWISRNAL-RDPSFJRHSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-24(18-9-7-17-14-19(30-2)10-8-16(17)13-18)22(28)27(23(29)25-24)15-26-11-3-5-20(26)21-6-4-12-31-21/h4,6-10,12-14,20H,3,5,11,15H2,1-2H3,(H,25,29)/t20-,24-/m0/s1.
What are the key properties of (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione?
(5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 435.55 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124721502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).