5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione

C24H25N3O4 — CID 4785450

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CC=C(c3ccccc3)CC2)C1=O
InChIInChI=1S/C24H25N3O4/c1-24(19-7-8-20-21(15-19)31-14-13-30-20)22(28)27(23(29)25-24)16-26-11-9-18(10-12-26)17-5-3-2-4-6-17/h2-9,15H,10-14,16H2,1H3,(H,25,29)
InChIKeyDBYHGFHKZHDDBN-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.97
Rot. Bonds4

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione (PubChem CID 4785450) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione
PubChem CID4785450
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CC=C(c3ccccc3)CC2)C1=O
InChIInChI=1S/C24H25N3O4/c1-24(19-7-8-20-21(15-19)31-14-13-30-20)22(28)27(23(29)25-24)16-26-11-9-18(10-12-26)17-5-3-2-4-6-17/h2-9,15H,10-14,16H2,1H3,(H,25,29)
InChIKeyDBYHGFHKZHDDBN-UHFFFAOYSA-N
XLogP2.97
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione (CID 4785450) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione is CC1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CC=C(c3ccccc3)CC2)C1=O.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is DBYHGFHKZHDDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-24(19-7-8-20-21(15-19)31-14-13-30-20)22(28)27(23(29)25-24)16-26-11-9-18(10-12-26)17-5-3-2-4-6-17/h2-9,15H,10-14,16H2,1H3,(H,25,29).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 419.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 4785450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).