2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide

C25H20ClN3O5 — CID 2979255

IUPAC2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESO=C(CC1C(=O)N(c2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2)Nc1ccccc1
InChIInChI=1S/C25H20ClN3O5/c26-17-5-4-8-19(12-17)29-24(31)20(13-23(30)27-18-6-2-1-3-7-18)28(25(29)32)14-16-9-10-21-22(11-16)34-15-33-21/h1-12,20H,13-15H2,(H,27,30)
InChIKeyXBXXXPVKAZAFPV-UHFFFAOYSA-N
MW477.90 g/mol
LogP4.43
Rot. Bonds6

About 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide

2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (PubChem CID 2979255) has the molecular formula C25H20ClN3O5 and a molecular weight of 477.90 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
PubChem CID2979255
Molecular FormulaC25H20ClN3O5
Molecular Weight477.90 g/mol
Exact Mass477.11
IUPAC Name2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESO=C(CC1C(=O)N(c2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2)Nc1ccccc1
InChIInChI=1S/C25H20ClN3O5/c26-17-5-4-8-19(12-17)29-24(31)20(13-23(30)27-18-6-2-1-3-7-18)28(25(29)32)14-16-9-10-21-22(11-16)34-15-33-21/h1-12,20H,13-15H2,(H,27,30)
InChIKeyXBXXXPVKAZAFPV-UHFFFAOYSA-N
XLogP4.43
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.90
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (CID 2979255) is 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is O=C(CC1C(=O)N(c2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2)Nc1ccccc1.
What is the InChIKey of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is XBXXXPVKAZAFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O5/c26-17-5-4-8-19(12-17)29-24(31)20(13-23(30)27-18-6-2-1-3-7-18)28(25(29)32)14-16-9-10-21-22(11-16)34-15-33-21/h1-12,20H,13-15H2,(H,27,30).
What are the key properties of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 477.90 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 2979255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).