(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C23H24N2O5 — CID 7595242

IUPAC(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)c(C)c1
InChIInChI=1S/C23H24N2O5/c1-14-5-7-17(15(2)11-14)18(26)13-25-21(27)23(3,24-22(25)28)16-6-8-19-20(12-16)30-10-4-9-29-19/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,24,28)/t23-/m1/s1
InChIKeyFNNUHJIFCNRHBH-HSZRJFAPSA-N
MW408.45 g/mol
LogP3.11
Rot. Bonds4

About (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 7595242) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID7595242
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)c(C)c1
InChIInChI=1S/C23H24N2O5/c1-14-5-7-17(15(2)11-14)18(26)13-25-21(27)23(3,24-22(25)28)16-6-8-19-20(12-16)30-10-4-9-29-19/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,24,28)/t23-/m1/s1
InChIKeyFNNUHJIFCNRHBH-HSZRJFAPSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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
(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
(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
2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 25488365
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
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 17452081
(5S)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41013577
2-[(4S)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9490748
(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
(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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8666937
2-[(4S)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 7595173

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (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) is (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is Cc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)c(C)c1.
What is the InChIKey of (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is FNNUHJIFCNRHBH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-14-5-7-17(15(2)11-14)18(26)13-25-21(27)23(3,24-22(25)28)16-6-8-19-20(12-16)30-10-4-9-29-19/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,24,28)/t23-/m1/s1.
What are the key properties of (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 408.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7595242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).