3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C19H17ClN2O4 — CID 17471317

IUPAC3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O
InChIInChI=1S/C19H17ClN2O4/c1-19(13-5-3-2-4-6-13)17(23)22(18(24)21-19)11-12-9-14(20)16-15(10-12)25-7-8-26-16/h2-6,9-10H,7-8,11H2,1H3,(H,21,24)
InChIKeyUKLHSJJYJOFMAG-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.08
Rot. Bonds3

About 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 17471317) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID17471317
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O
InChIInChI=1S/C19H17ClN2O4/c1-19(13-5-3-2-4-6-13)17(23)22(18(24)21-19)11-12-9-14(20)16-15(10-12)25-7-8-26-16/h2-6,9-10H,7-8,11H2,1H3,(H,21,24)
InChIKeyUKLHSJJYJOFMAG-UHFFFAOYSA-N
XLogP3.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24520488
(5S)-3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41082147
(5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 27073247
3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 55481018
(4R)-3'-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41096525
(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 2571204
3-[(2,6-dichlorophenyl)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 4780986
3-[(2,6-dichlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 3887433
(5R)-3-[(2-chlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580419
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
(5S)-5-methyl-3-[(3-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7177858
(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 7180504

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 17471317) is 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is CC1(c2ccccc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O.
What is the InChIKey of 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is UKLHSJJYJOFMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-19(13-5-3-2-4-6-13)17(23)22(18(24)21-19)11-12-9-14(20)16-15(10-12)25-7-8-26-16/h2-6,9-10H,7-8,11H2,1H3,(H,21,24).
What are the key properties of 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 372.81 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 17471317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).