5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione

C23H26N2O5 — CID 75401896

IUPAC5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C)cc(OCCN2C(=O)NC(C)(c3ccc4c(c3)OCCCO4)C2=O)c1
InChIInChI=1S/C23H26N2O5/c1-15-11-16(2)13-18(12-15)28-10-7-25-21(26)23(3,24-22(25)27)17-5-6-19-20(14-17)30-9-4-8-29-19/h5-6,11-14H,4,7-10H2,1-3H3,(H,24,27)
InChIKeyQSXBUTQDHMDFIM-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.31
Rot. Bonds5

About 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione

5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 75401896) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
PubChem CID75401896
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C)cc(OCCN2C(=O)NC(C)(c3ccc4c(c3)OCCCO4)C2=O)c1
InChIInChI=1S/C23H26N2O5/c1-15-11-16(2)13-18(12-15)28-10-7-25-21(26)23(3,24-22(25)27)17-5-6-19-20(14-17)30-9-4-8-29-19/h5-6,11-14H,4,7-10H2,1-3H3,(H,24,27)
InChIKeyQSXBUTQDHMDFIM-UHFFFAOYSA-N
XLogP3.31
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7483865
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42976785
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 75853918
(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione
CID 94175440
(5S)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7595168
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7691911
(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7595242
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 7595171
(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 30304962
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-methylpropyl)imidazolidine-2,4-dione
CID 17480412
2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 7595226

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione (CID 75401896) is 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione is Cc1cc(C)cc(OCCN2C(=O)NC(C)(c3ccc4c(c3)OCCCO4)C2=O)c1.
What is the InChIKey of 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is QSXBUTQDHMDFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-15-11-16(2)13-18(12-15)28-10-7-25-21(26)23(3,24-22(25)27)17-5-6-19-20(14-17)30-9-4-8-29-19/h5-6,11-14H,4,7-10H2,1-3H3,(H,24,27).
What are the key properties of 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 410.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 75401896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).