5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione

C26H30N4O3 — CID 71705445

IUPAC5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C(CC1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H30N4O3/c31-24(29-18-16-28(17-19-29)14-7-12-21-8-3-1-4-9-21)20-23-25(32)30(26(33)27-23)15-13-22-10-5-2-6-11-22/h1-12,23H,13-20H2,(H,27,33)/b12-7+
InChIKeyKJNUKRFRSXBLNO-KPKJPENVSA-N
MW446.55 g/mol
LogP2.40
Rot. Bonds8

About 5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione

5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 71705445) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID71705445
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C(CC1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H30N4O3/c31-24(29-18-16-28(17-19-29)14-7-12-21-8-3-1-4-9-21)20-23-25(32)30(26(33)27-23)15-13-22-10-5-2-6-11-22/h1-12,23H,13-20H2,(H,27,33)/b12-7+
InChIKeyKJNUKRFRSXBLNO-KPKJPENVSA-N
XLogP2.40
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 91823187
(5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one
CID 25295167
3-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 156609502
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
(5S)-3-[2-(4-methoxyphenyl)ethyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 75491171
(5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2704050
2-cyclopropyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110414400
5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 75356598
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
2-oxo-N-(2-phenylethyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108985123
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
1-(4-methylpiperidin-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propane-1,3-dione
CID 108942741

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione (CID 71705445) is 5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione is O=C(CC1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is KJNUKRFRSXBLNO-KPKJPENVSA-N. The full InChI is InChI=1S/C26H30N4O3/c31-24(29-18-16-28(17-19-29)14-7-12-21-8-3-1-4-9-21)20-23-25(32)30(26(33)27-23)15-13-22-10-5-2-6-11-22/h1-12,23H,13-20H2,(H,27,33)/b12-7+.
What are the key properties of 5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 446.55 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 71705445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).