3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione

C27H26N2O4 — CID 2221626

IUPAC3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESC/C=C/c1ccc(OCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(OC)c1
InChIInChI=1S/C27H26N2O4/c1-3-10-20-15-16-23(24(19-20)32-2)33-18-17-29-25(30)27(28-26(29)31,21-11-6-4-7-12-21)22-13-8-5-9-14-22/h3-16,19H,17-18H2,1-2H3,(H,28,31)/b10-3+
InChIKeyNMTREAKTNYSALF-XCVCLJGOSA-N
MW442.52 g/mol
LogP4.60
Rot. Bonds8

About 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione

3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 2221626) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID2221626
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESC/C=C/c1ccc(OCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(OC)c1
InChIInChI=1S/C27H26N2O4/c1-3-10-20-15-16-23(24(19-20)32-2)33-18-17-29-25(30)27(28-26(29)31,21-11-6-4-7-12-21)22-13-8-5-9-14-22/h3-16,19H,17-18H2,1-2H3,(H,28,31)/b10-3+
InChIKeyNMTREAKTNYSALF-XCVCLJGOSA-N
XLogP4.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione with MolForge

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Related Compounds

3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione
CID 2965830
1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine
CID 2232243
3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one
CID 973373
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
CID 76946846
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296
3-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 1262771
N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine
CID 2934924
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 888309
5-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 1304574
1-[3-(2-methoxy-4-prop-1-enylphenoxy)propyl]benzimidazole;oxalic acid
CID 2966036

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione (CID 2221626) is 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione is C/C=C/c1ccc(OCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(OC)c1.
What is the InChIKey of 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is NMTREAKTNYSALF-XCVCLJGOSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-3-10-20-15-16-23(24(19-20)32-2)33-18-17-29-25(30)27(28-26(29)31,21-11-6-4-7-12-21)22-13-8-5-9-14-22/h3-16,19H,17-18H2,1-2H3,(H,28,31)/b10-3+.
What are the key properties of 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 442.52 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 2221626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).