(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione

C14H16N2O4 — CID 94175440

IUPAC(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O
InChIInChI=1S/C14H16N2O4/c1-14(12(17)16(2)13(18)15-14)9-4-5-10-11(8-9)20-7-3-6-19-10/h4-5,8H,3,6-7H2,1-2H3,(H,15,18)/t14-/m1/s1
InChIKeyRXVYTBWKIYZOTO-CQSZACIVSA-N
MW276.29 g/mol
LogP1.24
Rot. Bonds1

About (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione

(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione (PubChem CID 94175440) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione
PubChem CID94175440
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O
InChIInChI=1S/C14H16N2O4/c1-14(12(17)16(2)13(18)15-14)9-4-5-10-11(8-9)20-7-3-6-19-10/h4-5,8H,3,6-7H2,1-2H3,(H,15,18)/t14-/m1/s1
InChIKeyRXVYTBWKIYZOTO-CQSZACIVSA-N
XLogP1.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7595168
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 75401896
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 75853918
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
(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
(2R)-N-cyclopentyl-2-[(4S)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 9449768
(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
2-[[2-[(4S)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-ethylacetamide
CID 9490750
2-[[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7531629
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione (CID 94175440) is (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione is CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O.
What is the InChIKey of (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione?
The InChIKey is RXVYTBWKIYZOTO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-14(12(17)16(2)13(18)15-14)9-4-5-10-11(8-9)20-7-3-6-19-10/h4-5,8H,3,6-7H2,1-2H3,(H,15,18)/t14-/m1/s1.
What are the key properties of (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione?
(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione has a molecular weight of 276.29 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 94175440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).