(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione

C23H24N2O5 — CID 7962031

IUPAC(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCc1cc(C)c(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1C
InChIInChI=1S/C23H24N2O5/c1-13-9-15(3)17(10-14(13)2)18(26)12-25-21(27)23(4,24-22(25)28)16-5-6-19-20(11-16)30-8-7-29-19/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,28)/t23-/m1/s1
InChIKeySGZUQNMAJUHLCK-HSZRJFAPSA-N
MW408.45 g/mol
LogP3.03
Rot. Bonds4

About (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione

(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 7962031) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione
PubChem CID7962031
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCc1cc(C)c(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1C
InChIInChI=1S/C23H24N2O5/c1-13-9-15(3)17(10-14(13)2)18(26)12-25-21(27)23(4,24-22(25)28)16-5-6-19-20(11-16)30-8-7-29-19/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,28)/t23-/m1/s1
InChIKeySGZUQNMAJUHLCK-HSZRJFAPSA-N
XLogP3.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(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
(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7484126
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7962117
(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
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione
CID 7483818
2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 7962305
(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41058914
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 17452081
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 17411442
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 7483911
3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 24982050
N-butyl-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962151

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione (CID 7962031) is (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione is Cc1cc(C)c(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1C.
What is the InChIKey of (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is SGZUQNMAJUHLCK-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-13-9-15(3)17(10-14(13)2)18(26)12-25-21(27)23(4,24-22(25)28)16-5-6-19-20(11-16)30-8-7-29-19/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,28)/t23-/m1/s1.
What are the key properties of (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione?
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 408.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7962031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).