3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione

C29H30N2O4 — CID 2965830

IUPAC3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCC=Cc1ccc(OCCCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(OC)c1
InChIInChI=1S/C29H30N2O4/c1-3-12-22-17-18-25(26(21-22)34-2)35-20-11-10-19-31-27(32)29(30-28(31)33,23-13-6-4-7-14-23)24-15-8-5-9-16-24/h3-9,12-18,21H,10-11,19-20H2,1-2H3,(H,30,33)
InChIKeyGNDLEBVLTYWXBH-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.38
Rot. Bonds10

About 3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione

3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 2965830) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is 3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID2965830
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC Name3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCC=Cc1ccc(OCCCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(OC)c1
InChIInChI=1S/C29H30N2O4/c1-3-12-22-17-18-25(26(21-22)34-2)35-20-11-10-19-31-27(32)29(30-28(31)33,23-13-6-4-7-14-23)24-15-8-5-9-16-24/h3-9,12-18,21H,10-11,19-20H2,1-2H3,(H,30,33)
InChIKeyGNDLEBVLTYWXBH-UHFFFAOYSA-N
XLogP5.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 2221626
1-benzyl-4-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]piperazine;oxalic acid
CID 2977131
1-[3-(2-methoxy-4-prop-1-enylphenoxy)propyl]benzimidazole;oxalic acid
CID 2966036
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
1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2292081
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
CID 76946846
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine
CID 2232243
N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide
CID 17005991
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-(2-phenylethyl)benzimidazole
CID 16999516
2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene
CID 102312295

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione (CID 2965830) is 3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione is CC=Cc1ccc(OCCCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(OC)c1.
What is the InChIKey of 3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is GNDLEBVLTYWXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-3-12-22-17-18-25(26(21-22)34-2)35-20-11-10-19-31-27(32)29(30-28(31)33,23-13-6-4-7-14-23)24-15-8-5-9-16-24/h3-9,12-18,21H,10-11,19-20H2,1-2H3,(H,30,33).
What are the key properties of 3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 470.57 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 2965830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).