2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C25H28ClN5O4 — CID 40879907

IUPAC2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(C(=O)c3ccccc3Cl)CC2)C1=O
InChIInChI=1S/C25H28ClN5O4/c1-25(12-11-18-7-3-2-4-8-18)23(34)31(24(35)27-25)28-21(32)17-29-13-15-30(16-14-29)22(33)19-9-5-6-10-20(19)26/h2-10H,11-17H2,1H3,(H,27,35)(H,28,32)/t25-/m0/s1
InChIKeyGUPGTVNBCCLGES-VWLOTQADSA-N
MW497.98 g/mol
LogP2.07
Rot. Bonds7

About 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 40879907) has the molecular formula C25H28ClN5O4 and a molecular weight of 497.98 g/mol. Its IUPAC name is 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID40879907
Molecular FormulaC25H28ClN5O4
Molecular Weight497.98 g/mol
Exact Mass497.18
IUPAC Name2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(C(=O)c3ccccc3Cl)CC2)C1=O
InChIInChI=1S/C25H28ClN5O4/c1-25(12-11-18-7-3-2-4-8-18)23(34)31(24(35)27-25)28-21(32)17-29-13-15-30(16-14-29)22(33)19-9-5-6-10-20(19)26/h2-10H,11-17H2,1H3,(H,27,35)(H,28,32)/t25-/m0/s1
InChIKeyGUPGTVNBCCLGES-VWLOTQADSA-N
XLogP2.07
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide 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

2-(4-benzoylpiperazin-1-yl)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40881853
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-piperidin-1-ylacetamide
CID 18087188
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 55590865
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 30955896
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30639648
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 51724563
1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 40880368
N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580785
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8580961
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 24682289
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 40880372

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 40879907) is 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(C(=O)c3ccccc3Cl)CC2)C1=O.
What is the InChIKey of 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is GUPGTVNBCCLGES-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28ClN5O4/c1-25(12-11-18-7-3-2-4-8-18)23(34)31(24(35)27-25)28-21(32)17-29-13-15-30(16-14-29)22(33)19-9-5-6-10-20(19)26/h2-10H,11-17H2,1H3,(H,27,35)(H,28,32)/t25-/m0/s1.
What are the key properties of 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 497.98 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 40879907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).