3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione

C18H18N2O3 — CID 84571229

IUPAC3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)C(=O)N1CCCOc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17-16(14-8-3-1-4-9-14)19-18(22)20(17)12-7-13-23-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H,19,22)
InChIKeyLJPOKRQNGZFHFX-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.75
Rot. Bonds6

About 3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione

3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione (PubChem CID 84571229) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione
PubChem CID84571229
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)C(=O)N1CCCOc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17-16(14-8-3-1-4-9-14)19-18(22)20(17)12-7-13-23-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H,19,22)
InChIKeyLJPOKRQNGZFHFX-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione
CID 84571309
3-(2-naphthalen-1-yloxyethyl)-5-phenylimidazolidine-2,4-dione
CID 84571228
4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620403
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909
butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 84572142
3-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione
CID 84571226
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944
(5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 2704119
3-[(2,6-dichlorophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 84573203
3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 84573205
3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 84572007

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione (CID 84571229) is 3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione is O=C1NC(c2ccccc2)C(=O)N1CCCOc1ccccc1.
What is the InChIKey of 3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione?
The InChIKey is LJPOKRQNGZFHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17-16(14-8-3-1-4-9-14)19-18(22)20(17)12-7-13-23-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H,19,22).
What are the key properties of 3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione?
3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione has a molecular weight of 310.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 84571229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).