(5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione

C16H18N2O5 — CID 8601366

IUPAC(5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[C@H]2CCCO2)C1=O
InChIInChI=1S/C16H18N2O5/c1-16(10-4-5-12-13(7-10)23-9-22-12)14(19)18(15(20)17-16)8-11-3-2-6-21-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,20)/t11-,16+/m1/s1
InChIKeyVBOLZQCNWNEDNJ-BZNIZROVSA-N
MW318.33 g/mol
LogP1.36
Rot. Bonds3

About (5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione

(5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 8601366) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is (5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID8601366
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name(5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[C@H]2CCCO2)C1=O
InChIInChI=1S/C16H18N2O5/c1-16(10-4-5-12-13(7-10)23-9-22-12)14(19)18(15(20)17-16)8-11-3-2-6-21-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,20)/t11-,16+/m1/s1
InChIKeyVBOLZQCNWNEDNJ-BZNIZROVSA-N
XLogP1.36
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.36
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

(5S)-5-(1,3-benzodioxol-5-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 40792067
5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
CID 112774193
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8643575
(5S)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8643587
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
5-(3-bromophenyl)-5-methyl-3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
CID 43001037
(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-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 40931197
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7359271
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 17441791
5-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17400223

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione (CID 8601366) is (5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione is C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[C@H]2CCCO2)C1=O.
What is the InChIKey of (5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is VBOLZQCNWNEDNJ-BZNIZROVSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-16(10-4-5-12-13(7-10)23-9-22-12)14(19)18(15(20)17-16)8-11-3-2-6-21-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,20)/t11-,16+/m1/s1.
What are the key properties of (5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione?
(5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 318.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 8601366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).