5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione

C18H22N4O3 — CID 164612136

IUPAC5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione
SMILESCC1(CCC(=O)N2CC3CC2CN3c2ccccc2)NC(=O)NC1=O
InChIInChI=1S/C18H22N4O3/c1-18(16(24)19-17(25)20-18)8-7-15(23)22-11-13-9-14(22)10-21(13)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H2,19,20,24,25)
InChIKeyFVNSHIBSRDNGFJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.85
Rot. Bonds4

About 5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione

5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione (PubChem CID 164612136) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione
PubChem CID164612136
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione
SMILESCC1(CCC(=O)N2CC3CC2CN3c2ccccc2)NC(=O)NC1=O
InChIInChI=1S/C18H22N4O3/c1-18(16(24)19-17(25)20-18)8-7-15(23)22-11-13-9-14(22)10-21(13)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H2,19,20,24,25)
InChIKeyFVNSHIBSRDNGFJ-UHFFFAOYSA-N
XLogP0.85
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Aldumastat
CID 121448788
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 4964169
3-[4-[4-(2-Methylphenyl)piperazino]butyl]-1,3-diazabicyclo[3.3.0]octane-2,4-dione
CID 4306767
2-[3-[4-(3-Aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10618325
1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide
CID 59401848
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437569
(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
CID 121437667
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437773
5-Methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 121437897
(3S,5S)-N-phenyl-5-(pyrrolidin-1-ylcarbonyl)pyrrolidine-3-carboxamide
CID 23646020
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 2579313
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-phenylpyrrolidine-2-carboxamide
CID 9551172

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione (CID 164612136) is 5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione is CC1(CCC(=O)N2CC3CC2CN3c2ccccc2)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is FVNSHIBSRDNGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-18(16(24)19-17(25)20-18)8-7-15(23)22-11-13-9-14(22)10-21(13)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H2,19,20,24,25).
What are the key properties of 5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione?
5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[3-oxo-3-(5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 164612136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).