5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione

C21H22ClN5O3 — CID 121437804

IUPAC5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(c2cccnc2)N1
InChIInChI=1S/C21H22ClN5O3/c22-16-4-1-5-17(13-16)26-9-11-27(12-10-26)18(28)6-7-21(15-3-2-8-23-14-15)19(29)24-20(30)25-21/h1-5,8,13-14H,6-7,9-12H2,(H2,24,25,29,30)
InChIKeyRWGLLJXXSHYVOK-UHFFFAOYSA-N
MW427.89 g/mol
LogP1.90
Rot. Bonds5

About 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione

5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 121437804) has the molecular formula C21H22ClN5O3 and a molecular weight of 427.89 g/mol. Its IUPAC name is 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID121437804
Molecular FormulaC21H22ClN5O3
Molecular Weight427.89 g/mol
Exact Mass427.14
IUPAC Name5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(c2cccnc2)N1
InChIInChI=1S/C21H22ClN5O3/c22-16-4-1-5-17(13-16)26-9-11-27(12-10-26)18(28)6-7-21(15-3-2-8-23-14-15)19(29)24-20(30)25-21/h1-5,8,13-14H,6-7,9-12H2,(H2,24,25,29,30)
InChIKeyRWGLLJXXSHYVOK-UHFFFAOYSA-N
XLogP1.90
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 51.90
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

1-N-[(2S)-5-(tert-butylamino)-1-[[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]amino]-1,5-dioxopentan-2-yl]-4-N-pyridin-3-ylpiperidine-1,4-dicarboxamide
CID 162650375
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 15993317
2-chloro-N-(2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl)benzamide
CID 3598053
N-[2-[1-(3-chlorophenyl)-4-oxidanylidene-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid
CID 46939229
5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 121437712
5-[3-[4-(3-Chloro-4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 121437776
5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 121437877
5-[3-[4-(3,5-Dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 121449021
N-(2-chloro-3-pyridinyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2101712
N-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3925192
1-[3-(2-Chloro-phenyl)-ureido]-cyclohexanecarboxylic acid (pyridin-3-ylmethyl)-amide
CID 6487903
2-{3-[(3-Chlorophenyl)methyl]-2-oxoimidazolidin-1-YL}-N-[(pyridin-2-YL)methyl]acetamide
CID 9550786

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione (CID 121437804) is 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(c2cccnc2)N1.
What is the InChIKey of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is RWGLLJXXSHYVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O3/c22-16-4-1-5-17(13-16)26-9-11-27(12-10-26)18(28)6-7-21(15-3-2-8-23-14-15)19(29)24-20(30)25-21/h1-5,8,13-14H,6-7,9-12H2,(H2,24,25,29,30).
What are the key properties of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 427.89 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 121437804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).