[3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate

C127H114F4N16O31 — CID 159743299

About [3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate

[3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate (PubChem CID 159743299) has the molecular formula C127H114F4N16O31 and a molecular weight of 2436.38 g/mol. Its IUPAC name is [3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate.

Molecular Properties

• Compound Name: [3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate
• PubChem CID: 159743299
• Molecular Formula: C127H114F4N16O31
• Molecular Weight: 2436.38 g/mol
• Exact Mass: 2434.78
• IUPAC Name: [3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate
• SMILES: CC1(F)Oc2ccc(N3CCN(c4cccc(OC=O)c4)C3=O)cc2O1.CC1(F)Oc2ccc(N3CCN(c4cccc(OC=O)c4)C3=O)cc2OC1(F)F.O=C(O)c1cccc(N2C(=O)CN(CC3CCCO3)C2=O)c1.O=COc1cccc(N2CCN(c3ccc(-n4cccc4)cc3)C2=O)c1.O=COc1cccc(N2CCN(c3ccc(N4CCCC4)cc3)C2=O)c1.O=COc1cccc(N2CCN(c3ccc4c(c3)OCCO4)C2=O)c1.O=COc1cccc(N2CCN(c3ccc4c(c3)OCO4)C2=O)c1
• InChI: InChI=1S/C20H21N3O3.C20H17N3O3.C19H15F3N2O5.C18H15FN2O5.C18H16N2O5.C17H14N2O5.C15H16N2O5/c2*24-15-26-19-5-3-4-18(14-19)23-13-12-22(20(23)25)17-8-6-16(7-9-17)21-10-1-2-11-21;1-18(20)19(21,22)29-16-10-13(5-6-15(16)28-18)24-8-7-23(17(24)26)12-3-2-4-14(9-12)27-11-25;1-18(19)25-15-6-5-13(10-16(15)26-18)21-8-7-20(17(21)23)12-3-2-4-14(9-12)24-11-22;21-12-25-15-3-1-2-13(10-15)19-6-7-20(18(19)22)14-4-5-16-17(11-14)24-9-8-23-16;20-10-22-14-3-1-2-12(8-14)18-6-7-19(17(18)21)13-4-5-15-16(9-13)24-11-23-15;18-13-9-16(8-12-5-2-6-22-12)15(21)17(13)11-4-1-3-10(7-11)14(19)20/h3-9,14-15H,1-2,10-13H2;1-11,14-15H,12-13H2;2-6,9-11H,7-8H2,1H3;2-6,9-11H,7-8H2,1H3;1-5,10-12H,6-9H2;1-5,8-10H,6-7,11H2;1,3-4,7,12H,2,5-6,8-9H2,(H,19,20)
• InChIKey: NCSQWTFPONJNJB-UHFFFAOYSA-N
• XLogP: 19.70
• TPSA: 468.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2436.38
LogP ≤ 5	19.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate?

The IUPAC name of [3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate (CID 159743299) is [3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate.

What is the SMILES notation for [3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate?

The canonical SMILES for [3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate is CC1(F)Oc2ccc(N3CCN(c4cccc(OC=O)c4)C3=O)cc2O1.CC1(F)Oc2ccc(N3CCN(c4cccc(OC=O)c4)C3=O)cc2OC1(F)F.O=C(O)c1cccc(N2C(=O)CN(CC3CCCO3)C2=O)c1.O=COc1cccc(N2CCN(c3ccc(-n4cccc4)cc3)C2=O)c1.O=COc1cccc(N2CCN(c3ccc(N4CCCC4)cc3)C2=O)c1.O=COc1cccc(N2CCN(c3ccc4c(c3)OCCO4)C2=O)c1.O=COc1cccc(N2CCN(c3ccc4c(c3)OCO4)C2=O)c1.

What is the InChIKey of [3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate?

The InChIKey is NCSQWTFPONJNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.C20H17N3O3.C19H15F3N2O5.C18H15FN2O5.C18H16N2O5.C17H14N2O5.C15H16N2O5/c2*24-15-26-19-5-3-4-18(14-19)23-13-12-22(20(23)25)17-8-6-16(7-9-17)21-10-1-2-11-21;1-18(20)19(21,22)29-16-10-13(5-6-15(16)28-18)24-8-7-23(17(24)26)12-3-2-4-14(9-12)27-11-25;1-18(19)25-15-6-5-13(10-16(15)26-18)21-8-7-20(17(21)23)12-3-2-4-14(9-12)24-11-22;21-12-25-15-3-1-2-13(10-15)19-6-7-20(18(19)22)14-4-5-16-17(11-14)24-9-8-23-16;20-10-22-14-3-1-2-12(8-14)18-6-7-19(17(18)21)13-4-5-15-16(9-13)24-11-23-15;18-13-9-16(8-12-5-2-6-22-12)15(21)17(13)11-4-1-3-10(7-11)14(19)20/h3-9,14-15H,1-2,10-13H2;1-11,14-15H,12-13H2;2-6,9-11H,7-8H2,1H3;2-6,9-11H,7-8H2,1H3;1-5,10-12H,6-9H2;1-5,8-10H,6-7,11H2;1,3-4,7,12H,2,5-6,8-9H2,(H,19,20).

What are the key properties of [3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate?

[3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate has a molecular weight of 2436.38 g/mol, XLogP of 19.70, 30 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-(1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;3-[2,5-dioxo-3-(oxolan-2-ylmethyl)imidazolidin-1-yl]benzoic acid;[3-[3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-2-oxoimidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrolidin-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate;[3-[2-oxo-3-(2,3,3-trifluoro-2-methyl-1,4-benzodioxin-6-yl)imidazolidin-1-yl]phenyl] formate is sourced from PubChem (CID 159743299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).