(5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione

C25H30N4O3 — CID 31482275

IUPAC(5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCC[C@]1(C)NC(=O)N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O
InChIInChI=1S/C25H30N4O3/c1-3-25(2)23(31)29(24(32)26-25)18-21(30)27-14-16-28(17-15-27)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,22H,3,14-18H2,1-2H3,(H,26,32)/t25-/m0/s1
InChIKeyCIPDYEXPKDZSJK-VWLOTQADSA-N
MW434.54 g/mol
LogP2.64
Rot. Bonds6

About (5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione

(5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 31482275) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is (5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID31482275
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name(5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCC[C@]1(C)NC(=O)N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O
InChIInChI=1S/C25H30N4O3/c1-3-25(2)23(31)29(24(32)26-25)18-21(30)27-14-16-28(17-15-27)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,22H,3,14-18H2,1-2H3,(H,26,32)/t25-/m0/s1
InChIKeyCIPDYEXPKDZSJK-VWLOTQADSA-N
XLogP2.64
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione with MolForge

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Related Compounds

3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 24542027
5-ethyl-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 60623070
1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one
CID 53386258
(5R)-3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 9238071
2-[4-[2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020303
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 62371838
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 46099721
1-(4-benzhydrylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 52894453
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 43013052
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 31482275) is (5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CC[C@]1(C)NC(=O)N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O.
What is the InChIKey of (5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is CIPDYEXPKDZSJK-VWLOTQADSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-3-25(2)23(31)29(24(32)26-25)18-21(30)27-14-16-28(17-15-27)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,22H,3,14-18H2,1-2H3,(H,26,32)/t25-/m0/s1.
What are the key properties of (5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
(5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 434.54 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 31482275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).