3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione

C19H15BrN2O5 — CID 24687542

IUPAC3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cccc(Br)c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C19H15BrN2O5/c1-19(12-3-2-4-13(20)8-12)17(24)22(18(25)21-19)9-14(23)11-5-6-15-16(7-11)27-10-26-15/h2-8H,9-10H2,1H3,(H,21,25)
InChIKeyZPKSKZJSYGAGGV-UHFFFAOYSA-N
MW431.24 g/mol
LogP2.83
Rot. Bonds4

About 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione

3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 24687542) has the molecular formula C19H15BrN2O5 and a molecular weight of 431.24 g/mol. Its IUPAC name is 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID24687542
Molecular FormulaC19H15BrN2O5
Molecular Weight431.24 g/mol
Exact Mass430.02
IUPAC Name3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cccc(Br)c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C19H15BrN2O5/c1-19(12-3-2-4-13(20)8-12)17(24)22(18(25)21-19)9-14(23)11-5-6-15-16(7-11)27-10-26-15/h2-8H,9-10H2,1H3,(H,21,25)
InChIKeyZPKSKZJSYGAGGV-UHFFFAOYSA-N
XLogP2.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.24
LogP ≤ 52.83
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-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41058914
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 17452081
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7359170
(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242493
(5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 41190166
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7691904
(5R)-5-(3-bromophenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 2702011
(5S)-5-(3-bromophenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 2702012
(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8666937
(5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 41251117
(5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]imidazolidine-2,4-dione
CID 2525067

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione (CID 24687542) is 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2cccc(Br)c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is ZPKSKZJSYGAGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O5/c1-19(12-3-2-4-13(20)8-12)17(24)22(18(25)21-19)9-14(23)11-5-6-15-16(7-11)27-10-26-15/h2-8H,9-10H2,1H3,(H,21,25).
What are the key properties of 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione?
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 431.24 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24687542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).