(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

C17H16N2O5 — CID 94820088

IUPAC(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccco2)NC(=O)N(Cc2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C17H16N2O5/c1-17(14-3-2-6-24-14)15(20)19(16(21)18-17)10-11-4-5-12-13(9-11)23-8-7-22-12/h2-6,9H,7-8,10H2,1H3,(H,18,21)/t17-/m1/s1
InChIKeyDAJJOUDYOPEDTN-QGZVFWFLSA-N
MW328.32 g/mol
LogP2.02
Rot. Bonds3

About (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 94820088) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID94820088
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccco2)NC(=O)N(Cc2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C17H16N2O5/c1-17(14-3-2-6-24-14)15(20)19(16(21)18-17)10-11-4-5-12-13(9-11)23-8-7-22-12/h2-6,9H,7-8,10H2,1H3,(H,18,21)/t17-/m1/s1
InChIKeyDAJJOUDYOPEDTN-QGZVFWFLSA-N
XLogP2.02
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.02
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)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112
(5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 125419949
(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 33130962
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 95307087
(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 7180504
(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 9320008
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 9320014
5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 46642091
(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)-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 75853918
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2564712

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (CID 94820088) is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccco2)NC(=O)N(Cc2ccc3c(c2)OCCO3)C1=O.
What is the InChIKey of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is DAJJOUDYOPEDTN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-17(14-3-2-6-24-14)15(20)19(16(21)18-17)10-11-4-5-12-13(9-11)23-8-7-22-12/h2-6,9H,7-8,10H2,1H3,(H,18,21)/t17-/m1/s1.
What are the key properties of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 328.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 94820088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).