5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione

C25H26N4O3S — CID 75884137

IUPAC5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2cccs2)NC(=O)N(CC(=O)N2CCN(Cc3cccc4ccccc34)CC2)C1=O
InChIInChI=1S/C25H26N4O3S/c1-25(21-10-5-15-33-21)23(31)29(24(32)26-25)17-22(30)28-13-11-27(12-14-28)16-19-8-4-7-18-6-2-3-9-20(18)19/h2-10,15H,11-14,16-17H2,1H3,(H,26,32)
InChIKeyGAIIIVKIXDHJGH-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.01
Rot. Bonds5

About 5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione

5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 75884137) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID75884137
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2cccs2)NC(=O)N(CC(=O)N2CCN(Cc3cccc4ccccc34)CC2)C1=O
InChIInChI=1S/C25H26N4O3S/c1-25(21-10-5-15-33-21)23(31)29(24(32)26-25)17-22(30)28-13-11-27(12-14-28)16-19-8-4-7-18-6-2-3-9-20(18)19/h2-10,15H,11-14,16-17H2,1H3,(H,26,32)
InChIKeyGAIIIVKIXDHJGH-UHFFFAOYSA-N
XLogP3.01
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.01
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

5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
CID 55480586
(5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30629728
2-methyl-5-[4-[2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 55733934
1-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 9397792
(5S)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 41208952
3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288570
(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92582836
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 112801401
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288588
(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51592541
(5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 30961017

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione (CID 75884137) is 5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione is CC1(c2cccs2)NC(=O)N(CC(=O)N2CCN(Cc3cccc4ccccc34)CC2)C1=O.
What is the InChIKey of 5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is GAIIIVKIXDHJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-25(21-10-5-15-33-21)23(31)29(24(32)26-25)17-22(30)28-13-11-27(12-14-28)16-19-8-4-7-18-6-2-3-9-20(18)19/h2-10,15H,11-14,16-17H2,1H3,(H,26,32).
What are the key properties of 5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione?
5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 462.58 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 75884137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).