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

C15H18N2O5 — CID 95307087

IUPAC(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
SMILESCOC[C@@]1(C)NC(=O)N(Cc2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C15H18N2O5/c1-15(9-20-2)13(18)17(14(19)16-15)8-10-3-4-11-12(7-10)22-6-5-21-11/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,19)/t15-/m1/s1
InChIKeySWZMNTFUCRLSBK-OAHLLOKOSA-N
MW306.32 g/mol
LogP0.91
Rot. Bonds4

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

(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 95307087) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
PubChem CID95307087
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
SMILESCOC[C@@]1(C)NC(=O)N(Cc2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C15H18N2O5/c1-15(9-20-2)13(18)17(14(19)16-15)8-10-3-4-11-12(7-10)22-6-5-21-11/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,19)/t15-/m1/s1
InChIKeySWZMNTFUCRLSBK-OAHLLOKOSA-N
XLogP0.91
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.91
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-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94820088
(5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 95247869
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2564712
(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 8659250
4-[[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 8659248
3-(1,3-benzodioxol-5-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7277305
(5R)-5-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 40834546
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione
CID 46642460
2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 51106618
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 8659273
3-ethyl-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 127013226

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione (CID 95307087) is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione is COC[C@@]1(C)NC(=O)N(Cc2ccc3c(c2)OCCO3)C1=O.
What is the InChIKey of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is SWZMNTFUCRLSBK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-15(9-20-2)13(18)17(14(19)16-15)8-10-3-4-11-12(7-10)22-6-5-21-11/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,19)/t15-/m1/s1.
What are the key properties of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione?
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 306.32 g/mol, XLogP of 0.91, 4 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-(methoxymethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 95307087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).