3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione

C24H29N5O3 — CID 91822559

IUPAC3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESO=C(CCC1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C24H29N5O3/c30-22(28-16-14-27(15-17-28)13-11-20-8-4-5-12-25-20)10-9-21-23(31)29(24(32)26-21)18-19-6-2-1-3-7-19/h1-8,12,21H,9-11,13-18H2,(H,26,32)
InChIKeyMREGAIBSUBSRFS-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.67
Rot. Bonds8

About 3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione

3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione (PubChem CID 91822559) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
PubChem CID91822559
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESO=C(CCC1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C24H29N5O3/c30-22(28-16-14-27(15-17-28)13-11-20-8-4-5-12-25-20)10-9-21-23(31)29(24(32)26-21)18-19-6-2-1-3-7-19/h1-8,12,21H,9-11,13-18H2,(H,26,32)
InChIKeyMREGAIBSUBSRFS-UHFFFAOYSA-N
XLogP1.67
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.67
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)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124862563
(5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124860685
3-phenyl-1-[4-(2-pyridin-2-ylethyl)-1,4-diazepan-1-yl]propan-1-one
CID 71923297
(5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 124861250
5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 110186788
5-[3-oxo-3-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione
CID 70776688
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 124863789
ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate
CID 91821962
(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 99870969
5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 71705445
3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 124862016

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione (CID 91822559) is 3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione is O=C(CCC1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(CCc2ccccn2)CC1.
What is the InChIKey of 3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is MREGAIBSUBSRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c30-22(28-16-14-27(15-17-28)13-11-20-8-4-5-12-25-20)10-9-21-23(31)29(24(32)26-21)18-19-6-2-1-3-7-19/h1-8,12,21H,9-11,13-18H2,(H,26,32).
What are the key properties of 3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 435.53 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91822559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).