3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione

C25H24N2O4 — CID 85456346

IUPAC3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCc1cccc(OCC(O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1
InChIInChI=1S/C25H24N2O4/c1-18-9-8-14-22(15-18)31-17-21(28)16-27-23(29)25(26-24(27)30,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,21,28H,16-17H2,1H3,(H,26,30)
InChIKeyKAQZUCCQGSEWPL-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.23
Rot. Bonds7

About 3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione

3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 85456346) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID85456346
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCc1cccc(OCC(O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1
InChIInChI=1S/C25H24N2O4/c1-18-9-8-14-22(15-18)31-17-21(28)16-27-23(29)25(26-24(27)30,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,21,28H,16-17H2,1H3,(H,26,30)
InChIKeyKAQZUCCQGSEWPL-UHFFFAOYSA-N
XLogP3.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.23
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

3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 55410388
(5S)-5-(furan-2-yl)-3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 94180443
(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5307270
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
3-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 45354126
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94389630
(5R)-3-[(2R)-3-(3-bromophenoxy)-2-hydroxypropyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 31566247
(5S)-2-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 94802700
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31574475
(5S)-5-methyl-3-[2-(3-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 2579943

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione (CID 85456346) is 3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione is Cc1cccc(OCC(O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1.
What is the InChIKey of 3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is KAQZUCCQGSEWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-18-9-8-14-22(15-18)31-17-21(28)16-27-23(29)25(26-24(27)30,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,21,28H,16-17H2,1H3,(H,26,30).
What are the key properties of 3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 416.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(3-methylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 85456346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).