1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione

C28H31N3O5 — CID 71218185

IUPAC1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
SMILESCCN(CC)CCOc1ccc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1OC
InChIInChI=1S/C28H31N3O5/c1-4-29(5-2)17-18-35-25-16-13-22(19-26(25)34-3)30-20-27(32)31(28(30)33)21-11-14-24(15-12-21)36-23-9-7-6-8-10-23/h6-16,19H,4-5,17-18,20H2,1-3H3
InChIKeyBQBBHCRSCMOPKD-UHFFFAOYSA-N
MW489.57 g/mol
LogP5.18
Rot. Bonds11

About 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione

1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione (PubChem CID 71218185) has the molecular formula C28H31N3O5 and a molecular weight of 489.57 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
PubChem CID71218185
Molecular FormulaC28H31N3O5
Molecular Weight489.57 g/mol
Exact Mass489.23
IUPAC Name1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
SMILESCCN(CC)CCOc1ccc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1OC
InChIInChI=1S/C28H31N3O5/c1-4-29(5-2)17-18-35-25-16-13-22(19-26(25)34-3)30-20-27(32)31(28(30)33)21-11-14-24(15-12-21)36-23-9-7-6-8-10-23/h6-16,19H,4-5,17-18,20H2,1-3H3
InChIKeyBQBBHCRSCMOPKD-UHFFFAOYSA-N
XLogP5.18
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.57
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-Difluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one
CID 44404623
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4591414
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 4835852
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 663585
1-(3-Fluoro-phenyl)-3-[4-methoxy-3-(2-piperidin-1-yl-ethoxy)-phenyl]-imidazolidin-2-one
CID 9866423
1-[3-[2-(Dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one
CID 10150393
1-(3-Fluorophenyl)-3-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]imidazolidin-2-one
CID 10194524
1-(2-Chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one
CID 10216639
1-(3-Fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one
CID 10237852
3-(3-Fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione
CID 10238108
1-[4-Methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-phenylimidazolidin-2-one
CID 10309622
1-[3-Methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 15982955

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione (CID 71218185) is 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione is CCN(CC)CCOc1ccc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1OC.
What is the InChIKey of 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is BQBBHCRSCMOPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5/c1-4-29(5-2)17-18-35-25-16-13-22(19-26(25)34-3)30-20-27(32)31(28(30)33)21-11-14-24(15-12-21)36-23-9-7-6-8-10-23/h6-16,19H,4-5,17-18,20H2,1-3H3.
What are the key properties of 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione?
1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 489.57 g/mol, XLogP of 5.18, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-3-(4-phenoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 71218185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).