3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione

C24H26N2O5 — CID 42948966

IUPAC3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
SMILESCC(=O)c1c(C)cc(C)c(CN2C(=O)NC(C)(Cc3ccc4c(c3)OCO4)C2=O)c1C
InChIInChI=1S/C24H26N2O5/c1-13-8-14(2)21(16(4)27)15(3)18(13)11-26-22(28)24(5,25-23(26)29)10-17-6-7-19-20(9-17)31-12-30-19/h6-9H,10-12H2,1-5H3,(H,25,29)
InChIKeyIFDHOTFFFMKEHW-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.60
Rot. Bonds5

About 3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione

3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 42948966) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
PubChem CID42948966
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
SMILESCC(=O)c1c(C)cc(C)c(CN2C(=O)NC(C)(Cc3ccc4c(c3)OCO4)C2=O)c1C
InChIInChI=1S/C24H26N2O5/c1-13-8-14(2)21(16(4)27)15(3)18(13)11-26-22(28)24(5,25-23(26)29)10-17-6-7-19-20(9-17)31-12-30-19/h6-9H,10-12H2,1-5H3,(H,25,29)
InChIKeyIFDHOTFFFMKEHW-UHFFFAOYSA-N
XLogP3.60
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.60
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-ylmethyl)-5-methyl-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]imidazolidine-2,4-dione
CID 8659528
3-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 31577649
4-[[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 8659248
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 8659250
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 8659273
(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
2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43013428
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 8659323
(5R)-5-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8659310
butyl 2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8659819
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8659783
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 36658926

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione (CID 42948966) is 3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione is CC(=O)c1c(C)cc(C)c(CN2C(=O)NC(C)(Cc3ccc4c(c3)OCO4)C2=O)c1C.
What is the InChIKey of 3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is IFDHOTFFFMKEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-13-8-14(2)21(16(4)27)15(3)18(13)11-26-22(28)24(5,25-23(26)29)10-17-6-7-19-20(9-17)31-12-30-19/h6-9H,10-12H2,1-5H3,(H,25,29).
What are the key properties of 3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione?
3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 422.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42948966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).