5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione

C25H28N4O4 — CID 95811682

IUPAC5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCC(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C25H28N4O4/c1-25(2)23(32)29(24(33)27-25)14-12-21(30)28-15-13-26-22(31)20(28)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3,(H,26,31)(H,27,33)/t20-/m0/s1
InChIKeyKGMJJTBUPAVXPN-FQEVSTJZSA-N
MW448.52 g/mol
LogP1.94
Rot. Bonds6

About 5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione (PubChem CID 95811682) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione
PubChem CID95811682
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCC(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C25H28N4O4/c1-25(2)23(32)29(24(33)27-25)14-12-21(30)28-15-13-26-22(31)20(28)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3,(H,26,31)(H,27,33)/t20-/m0/s1
InChIKeyKGMJJTBUPAVXPN-FQEVSTJZSA-N
XLogP1.94
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-[3-(benzimidazol-1-yl)propanoyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 129459142
(3S)-4-[3-(4-chlorophenyl)propanoyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 125011929
3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
CID 45232095
(3R)-3-benzyl-4-[3-(1-methylpyrazol-4-yl)propanoyl]-1,4-diazepan-2-one
CID 125143869
3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924
3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
CID 74241317
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405
4-[3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
CID 119184179
(3S)-3-benzyl-4-(3-pyridin-2-ylpropanoyl)-1,4-diazepan-2-one
CID 125144222
3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43393443
3-[4-[2-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120801960

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione (CID 95811682) is 5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCC(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is KGMJJTBUPAVXPN-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-25(2)23(32)29(24(33)27-25)14-12-21(30)28-15-13-26-22(31)20(28)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3,(H,26,31)(H,27,33)/t20-/m0/s1.
What are the key properties of 5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 448.52 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[3-oxo-3-[(2S)-3-oxo-2-[(4-phenylphenyl)methyl]piperazin-1-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95811682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).