2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C25H27F2N5O4 — CID 55590865

IUPAC2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)C1=O
InChIInChI=1S/C25H27F2N5O4/c1-25(10-9-17-5-3-2-4-6-17)23(35)32(24(36)28-25)29-21(33)16-30-11-13-31(14-12-30)22(34)18-7-8-19(26)20(27)15-18/h2-8,15H,9-14,16H2,1H3,(H,28,36)(H,29,33)
InChIKeyCWMSJDZHMARMLW-UHFFFAOYSA-N
MW499.52 g/mol
LogP1.70
Rot. Bonds7

About 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 55590865) has the molecular formula C25H27F2N5O4 and a molecular weight of 499.52 g/mol. Its IUPAC name is 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID55590865
Molecular FormulaC25H27F2N5O4
Molecular Weight499.52 g/mol
Exact Mass499.20
IUPAC Name2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)C1=O
InChIInChI=1S/C25H27F2N5O4/c1-25(10-9-17-5-3-2-4-6-17)23(35)32(24(36)28-25)29-21(33)16-30-11-13-31(14-12-30)22(34)18-7-8-19(26)20(27)15-18/h2-8,15H,9-14,16H2,1H3,(H,28,36)(H,29,33)
InChIKeyCWMSJDZHMARMLW-UHFFFAOYSA-N
XLogP1.70
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40881853
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40879907
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-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-piperidin-1-ylacetamide
CID 18087188
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
N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580785
(5R)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170756
1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 40880368
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9133162

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 55590865) is 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is CC1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)C1=O.
What is the InChIKey of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is CWMSJDZHMARMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O4/c1-25(10-9-17-5-3-2-4-6-17)23(35)32(24(36)28-25)29-21(33)16-30-11-13-31(14-12-30)22(34)18-7-8-19(26)20(27)15-18/h2-8,15H,9-14,16H2,1H3,(H,28,36)(H,29,33).
What are the key properties of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 499.52 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 55590865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).