3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

C26H28N4O4S — CID 42911362

IUPAC3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C26H28N4O4S/c1-26(23-12-11-21-9-5-6-10-22(21)17-23)24(31)30(25(32)27-26)19-28-13-15-29(16-14-28)35(33,34)18-20-7-3-2-4-8-20/h2-12,17H,13-16,18-19H2,1H3,(H,27,32)
InChIKeyODIXAIFMYPVKCR-UHFFFAOYSA-N
MW492.60 g/mol
LogP2.71
Rot. Bonds6

About 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 42911362) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID42911362
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC Name3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C26H28N4O4S/c1-26(23-12-11-21-9-5-6-10-22(21)17-23)24(31)30(25(32)27-26)19-28-13-15-29(16-14-28)35(33,34)18-20-7-3-2-4-8-20/h2-12,17H,13-16,18-19H2,1H3,(H,27,32)
InChIKeyODIXAIFMYPVKCR-UHFFFAOYSA-N
XLogP2.71
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 52.71
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

(5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 39771345
(5R)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 31056016
(5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 31056015
(5R)-5-methyl-3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 51725456
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
(5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30629728
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
(5R)-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 31392589
2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9244980
N-(benzylcarbamoyl)-3-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 24592825
5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 45352806

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 42911362) is 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is CC1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O.
What is the InChIKey of 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is ODIXAIFMYPVKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-26(23-12-11-21-9-5-6-10-22(21)17-23)24(31)30(25(32)27-26)19-28-13-15-29(16-14-28)35(33,34)18-20-7-3-2-4-8-20/h2-12,17H,13-16,18-19H2,1H3,(H,27,32).
What are the key properties of 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 492.60 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 42911362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).