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

C27H30N4O3 — CID 31056015

IUPAC(5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCCOc1ccccc1N1CCN(CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1
InChIInChI=1S/C27H30N4O3/c1-3-34-24-11-7-6-10-23(24)30-16-14-29(15-17-30)19-31-25(32)27(2,28-26(31)33)22-13-12-20-8-4-5-9-21(20)18-22/h4-13,18H,3,14-17,19H2,1-2H3,(H,28,33)/t27-/m0/s1
InChIKeyLLYOLLHIPHJUSK-MHZLTWQESA-N
MW458.56 g/mol
LogP3.79
Rot. Bonds6

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

(5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 31056015) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is (5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID31056015
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name(5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCCOc1ccccc1N1CCN(CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1
InChIInChI=1S/C27H30N4O3/c1-3-34-24-11-7-6-10-23(24)30-16-14-29(15-17-30)19-31-25(32)27(2,28-26(31)33)22-13-12-20-8-4-5-9-21(20)18-22/h4-13,18H,3,14-17,19H2,1-2H3,(H,28,33)/t27-/m0/s1
InChIKeyLLYOLLHIPHJUSK-MHZLTWQESA-N
XLogP3.79
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.79
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)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 31056016
3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 43038665
(5S)-5-methyl-5-naphthalen-2-yl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 39771345
(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
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55342804
(5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41367932
(5R)-5-methyl-3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 31388762
N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
CID 41023343
5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 45352806
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 31056015) is (5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is CCOc1ccccc1N1CCN(CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1.
What is the InChIKey of (5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is LLYOLLHIPHJUSK-MHZLTWQESA-N. The full InChI is InChI=1S/C27H30N4O3/c1-3-34-24-11-7-6-10-23(24)30-16-14-29(15-17-30)19-31-25(32)27(2,28-26(31)33)22-13-12-20-8-4-5-9-21(20)18-22/h4-13,18H,3,14-17,19H2,1-2H3,(H,28,33)/t27-/m0/s1.
What are the key properties of (5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
(5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 458.56 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 31056015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).