5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione

C20H20N2O5 — CID 42976785

IUPAC5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCc1ccccc1OCCN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C20H20N2O5/c1-13-5-3-4-6-15(13)25-10-9-22-18(23)20(2,21-19(22)24)14-7-8-16-17(11-14)27-12-26-16/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyQNKYXCRMERFHDN-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.57
Rot. Bonds5

About 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione

5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 42976785) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
PubChem CID42976785
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCc1ccccc1OCCN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C20H20N2O5/c1-13-5-3-4-6-15(13)25-10-9-22-18(23)20(2,21-19(22)24)14-7-8-16-17(11-14)27-12-26-16/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyQNKYXCRMERFHDN-UHFFFAOYSA-N
XLogP2.57
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.57
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-(1,3-benzodioxol-5-yl)-3-[2-(2-chlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7691911
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
5-(1,3-benzodioxol-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenoxy]butyl]-5-methylimidazolidine-2,4-dione
CID 59234913
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 75401896
(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7483865
(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
(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-methyl-1,3-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 126829801
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7359271
5-(2-chlorophenyl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4003616
ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7692011
5-(2,5-difluorophenyl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 17487504

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione (CID 42976785) is 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione is Cc1ccccc1OCCN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is QNKYXCRMERFHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-13-5-3-4-6-15(13)25-10-9-22-18(23)20(2,21-19(22)24)14-7-8-16-17(11-14)27-12-26-16/h3-8,11H,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione?
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 368.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 42976785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).