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

C25H30FN5O3 — CID 30955896

IUPAC2-[4-[(2-fluorophenyl)methyl]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(Cc3ccccc3F)CC2)C1=O
InChIInChI=1S/C25H30FN5O3/c1-25(12-11-19-7-3-2-4-8-19)23(33)31(24(34)27-25)28-22(32)18-30-15-13-29(14-16-30)17-20-9-5-6-10-21(20)26/h2-10H,11-18H2,1H3,(H,27,34)(H,28,32)/t25-/m0/s1
InChIKeyFDKIHHPGGJSKNM-VWLOTQADSA-N
MW467.55 g/mol
LogP1.92
Rot. Bonds8

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

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 30955896) has the molecular formula C25H30FN5O3 and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID30955896
Molecular FormulaC25H30FN5O3
Molecular Weight467.55 g/mol
Exact Mass467.23
IUPAC Name2-[4-[(2-fluorophenyl)methyl]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(Cc3ccccc3F)CC2)C1=O
InChIInChI=1S/C25H30FN5O3/c1-25(12-11-19-7-3-2-4-8-19)23(33)31(24(34)27-25)28-22(32)18-30-15-13-29(14-16-30)17-20-9-5-6-10-21(20)26/h2-10H,11-18H2,1H3,(H,27,34)(H,28,32)/t25-/m0/s1
InChIKeyFDKIHHPGGJSKNM-VWLOTQADSA-N
XLogP1.92
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 51.92
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

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-(4-benzoylpiperazin-1-yl)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40881853
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 55590865
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 51724563
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40879907
N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580785
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-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 30639631
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-fluorophenyl)methyl]piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 30955896) is 2-[4-[(2-fluorophenyl)methyl]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-fluorophenyl)methyl]piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methyl]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(Cc3ccccc3F)CC2)C1=O.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is FDKIHHPGGJSKNM-VWLOTQADSA-N. The full InChI is InChI=1S/C25H30FN5O3/c1-25(12-11-19-7-3-2-4-8-19)23(33)31(24(34)27-25)28-22(32)18-30-15-13-29(14-16-30)17-20-9-5-6-10-21(20)26/h2-10H,11-18H2,1H3,(H,27,34)(H,28,32)/t25-/m0/s1.
What are the key properties of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 467.55 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 30955896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).