1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione

C23H26N4O2 — CID 55919363

IUPAC1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-22-18-26(21-11-5-2-6-12-21)23(29)27(22)19-25-16-14-24(15-17-25)13-7-10-20-8-3-1-4-9-20/h1-12H,13-19H2/b10-7+
InChIKeyHPDXHJYDOFKWFX-JXMROGBWSA-N
MW390.49 g/mol
LogP2.74
Rot. Bonds6

About 1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione

1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 55919363) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID55919363
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-22-18-26(21-11-5-2-6-12-21)23(29)27(22)19-25-16-14-24(15-17-25)13-7-10-20-8-3-1-4-9-20/h1-12H,13-19H2/b10-7+
InChIKeyHPDXHJYDOFKWFX-JXMROGBWSA-N
XLogP2.74
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(morpholin-4-ylmethyl)-1-phenylimidazolidine-2,4-dione
CID 781366
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4968947
(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30721988
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
8-tert-butyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 22110194
1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 5293909

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione (CID 55919363) is 1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione is O=C1CN(c2ccccc2)C(=O)N1CN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is HPDXHJYDOFKWFX-JXMROGBWSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22-18-26(21-11-5-2-6-12-21)23(29)27(22)19-25-16-14-24(15-17-25)13-7-10-20-8-3-1-4-9-20/h1-12H,13-19H2/b10-7+.
What are the key properties of 1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?
1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 390.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55919363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).