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

C19H15ClF2N2O4 — CID 24520488

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

3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 24520488) has the molecular formula C19H15ClF2N2O4 and a molecular weight of 408.79 g/mol. Its IUPAC name is 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
• PubChem CID: 24520488
• Molecular Formula: C19H15ClF2N2O4
• Molecular Weight: 408.79 g/mol
• Exact Mass: 408.07
• IUPAC Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
• SMILES: CC1(c2ccc(F)c(F)c2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O
• InChI: InChI=1S/C19H15ClF2N2O4/c1-19(11-2-3-13(21)14(22)8-11)17(25)24(18(26)23-19)9-10-6-12(20)16-15(7-10)27-4-5-28-16/h2-3,6-8H,4-5,9H2,1H3,(H,23,26)
• InChIKey: WHOQMTNDLLLBHZ-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.79
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?

The IUPAC name of 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione (CID 24520488) is 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(F)c(F)c2)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-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?

The InChIKey is WHOQMTNDLLLBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O4/c1-19(11-2-3-13(21)14(22)8-11)17(25)24(18(26)23-19)9-10-6-12(20)16-15(7-10)27-4-5-28-16/h2-3,6-8H,4-5,9H2,1H3,(H,23,26).

What are the key properties of 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?

3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 408.79 g/mol, XLogP of 3.36, 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-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24520488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).