5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione

C25H25N5O2 — CID 31384492

IUPAC5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H25N5O2/c31-23-25(20-7-3-1-4-8-20,21-9-5-2-6-10-21)27-24(32)30(23)19-28-15-17-29(18-16-28)22-11-13-26-14-12-22/h1-14H,15-19H2,(H,27,32)
InChIKeyVYVDRQNJDHZQNU-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.66
Rot. Bonds5

About 5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione

5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione (PubChem CID 31384492) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
PubChem CID31384492
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H25N5O2/c31-23-25(20-7-3-1-4-8-20,21-9-5-2-6-10-21)27-24(32)30(23)19-28-15-17-29(18-16-28)22-11-13-26-14-12-22/h1-14H,15-19H2,(H,27,32)
InChIKeyVYVDRQNJDHZQNU-UHFFFAOYSA-N
XLogP2.66
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 31444010
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
(5R)-5-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-5-phenylimidazolidine-2,4-dione
CID 9193313
(5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
CID 9184161
2-[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 55511357
(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 30628981
5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-5-pyridin-4-ylimidazolidine-2,4-dione
CID 21395250
3'-[(4-phenylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4877532
N-[1-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 36781248
(3aS,7aR)-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9280439
5,5-diphenyl-3-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
CID 35947653
3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 9403675

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione (CID 31384492) is 5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccncc2)CC1.
What is the InChIKey of 5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is VYVDRQNJDHZQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c31-23-25(20-7-3-1-4-8-20,21-9-5-2-6-10-21)27-24(32)30(23)19-28-15-17-29(18-16-28)22-11-13-26-14-12-22/h1-14H,15-19H2,(H,27,32).
What are the key properties of 5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione?
5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 427.51 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 31384492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).