5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione

C12H14N2O3 — CID 140970561

IUPAC5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCCc2ccc(O)cc2)N1
InChIInChI=1S/C12H14N2O3/c15-9-6-4-8(5-7-9)2-1-3-10-11(16)14-12(17)13-10/h4-7,10,15H,1-3H2,(H2,13,14,16,17)
InChIKeyVWCBIXSBKJCQFD-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.92
Rot. Bonds4

About 5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione

5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione (PubChem CID 140970561) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione
PubChem CID140970561
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCCc2ccc(O)cc2)N1
InChIInChI=1S/C12H14N2O3/c15-9-6-4-8(5-7-9)2-1-3-10-11(16)14-12(17)13-10/h4-7,10,15H,1-3H2,(H2,13,14,16,17)
InChIKeyVWCBIXSBKJCQFD-UHFFFAOYSA-N
XLogP0.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione
CID 7000133
(5R)-5-butylimidazolidine-2,4-dione
CID 51416195
5-(4-bromobutyl)imidazolidine-2,4-dione
CID 567967
(3R,6R)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 59269972
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
5-propylimidazolidine-2,4-dione
CID 567619
5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide
CID 99868106
5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione
CID 175318269
4-(3-aminopropyl)phenol
CID 4574248
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
2-[3-[(2S)-5-[(4-hydroxyphenyl)methylidene]-3,6-dioxopiperazin-2-yl]propyl]guanidine
CID 162865924

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione (CID 140970561) is 5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CCCc2ccc(O)cc2)N1.
What is the InChIKey of 5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione?
The InChIKey is VWCBIXSBKJCQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-9-6-4-8(5-7-9)2-1-3-10-11(16)14-12(17)13-10/h4-7,10,15H,1-3H2,(H2,13,14,16,17).
What are the key properties of 5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione?
5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-hydroxyphenyl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 140970561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).