5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione

C18H23N3O3 — CID 110677250

IUPAC5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCCCCC2)(c2ccccc2)N1
InChIInChI=1S/C18H23N3O3/c22-15(21-12-6-1-2-7-13-21)10-11-18(14-8-4-3-5-9-14)16(23)19-17(24)20-18/h3-5,8-9H,1-2,6-7,10-13H2,(H2,19,20,23,24)
InChIKeyXIRQCLBSDPXKHP-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.90
Rot. Bonds4

About 5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione

5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 110677250) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
PubChem CID110677250
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCCCCC2)(c2ccccc2)N1
InChIInChI=1S/C18H23N3O3/c22-15(21-12-6-1-2-7-13-21)10-11-18(14-8-4-3-5-9-14)16(23)19-17(24)20-18/h3-5,8-9H,1-2,6-7,10-13H2,(H2,19,20,23,24)
InChIKeyXIRQCLBSDPXKHP-UHFFFAOYSA-N
XLogP1.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677215
5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 121437598
5-(4-chlorophenyl)-5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437904
5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437579
N-benzyl-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide
CID 110677217
5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 164626807
5-(4-fluorophenyl)-5-[3-[2-(3-methylbutanoyl)-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]-3-oxopropyl]imidazolidine-2,4-dione;hydrochloride
CID 171687595
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40748676
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(4-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 137468170
N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide
CID 110677225
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 2705375
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[4-[(dimethylamino)methyl]phenyl]imidazolidine-2,4-dione
CID 121437807

Frequently Asked Questions

What is the IUPAC name of 5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione (CID 110677250) is 5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2CCCCCC2)(c2ccccc2)N1.
What is the InChIKey of 5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is XIRQCLBSDPXKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-15(21-12-6-1-2-7-13-21)10-11-18(14-8-4-3-5-9-14)16(23)19-17(24)20-18/h3-5,8-9H,1-2,6-7,10-13H2,(H2,19,20,23,24).
What are the key properties of 5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 329.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 110677250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).