5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione

C112H96N18O19S4 — CID 159302484

IUPAC5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione
SMILESCC(=O)c1cc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)ccn1.CC(=O)c1cccc(COc2ccc(Oc3ccncc3C3NC(=O)NC3=O)cc2)c1.CC(=O)c1cncc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.CCC1(c2cnccc2Sc2ccc(OCc3cccc(C)c3)cc2)NC(=O)NC1=O.Cc1cncc(COc2ccc(Sc3cnccc3C3NC(=O)NC3=O)cc2)c1
InChIInChI=1S/C24H23N3O3S.C23H19N3O5.2C22H18N4O4S.C21H18N4O3S/c1-3-24(22(28)26-23(29)27-24)20-14-25-12-11-21(20)31-19-9-7-18(8-10-19)30-15-17-6-4-5-16(2)13-17;1-14(27)16-4-2-3-15(11-16)13-30-17-5-7-18(8-6-17)31-20-9-10-24-12-19(20)21-22(28)26-23(29)25-21;1-13(27)18-10-14(6-9-24-18)12-30-15-2-4-16(5-3-15)31-19-7-8-23-11-17(19)20-21(28)26-22(29)25-20;1-13(27)15-8-14(9-24-10-15)12-30-16-2-4-17(5-3-16)31-19-6-7-23-11-18(19)20-21(28)26-22(29)25-20;1-13-8-14(10-23-9-13)12-28-15-2-4-16(5-3-15)29-18-11-22-7-6-17(18)19-20(26)25-21(27)24-19/h4-14H,3,15H2,1-2H3,(H2,26,27,28,29);2-12,21H,13H2,1H3,(H2,25,26,28,29);2*2-11,20H,12H2,1H3,(H2,25,26,28,29);2-11,19H,12H2,1H3,(H2,24,25,26,27)
InChIKeyLBMWDHDIDMXVHO-UHFFFAOYSA-N
MW2126.37 g/mol
LogP18.08
Rot. Bonds34

About 5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione

5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione (PubChem CID 159302484) has the molecular formula C112H96N18O19S4 and a molecular weight of 2126.37 g/mol. Its IUPAC name is 5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione
PubChem CID159302484
Molecular FormulaC112H96N18O19S4
Molecular Weight2126.37 g/mol
Exact Mass2124.60
IUPAC Name5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione
SMILESCC(=O)c1cc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)ccn1.CC(=O)c1cccc(COc2ccc(Oc3ccncc3C3NC(=O)NC3=O)cc2)c1.CC(=O)c1cncc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.CCC1(c2cnccc2Sc2ccc(OCc3cccc(C)c3)cc2)NC(=O)NC1=O.Cc1cncc(COc2ccc(Sc3cnccc3C3NC(=O)NC3=O)cc2)c1
InChIInChI=1S/C24H23N3O3S.C23H19N3O5.2C22H18N4O4S.C21H18N4O3S/c1-3-24(22(28)26-23(29)27-24)20-14-25-12-11-21(20)31-19-9-7-18(8-10-19)30-15-17-6-4-5-16(2)13-17;1-14(27)16-4-2-3-15(11-16)13-30-17-5-7-18(8-6-17)31-20-9-10-24-12-19(20)21-22(28)26-23(29)25-21;1-13(27)18-10-14(6-9-24-18)12-30-15-2-4-16(5-3-15)31-19-7-8-23-11-17(19)20-21(28)26-22(29)25-20;1-13(27)15-8-14(9-24-10-15)12-30-16-2-4-17(5-3-16)31-19-6-7-23-11-18(19)20-21(28)26-22(29)25-20;1-13-8-14(10-23-9-13)12-28-15-2-4-16(5-3-15)29-18-11-22-7-6-17(18)19-20(26)25-21(27)24-19/h4-14H,3,15H2,1-2H3,(H2,26,27,28,29);2-12,21H,13H2,1H3,(H2,25,26,28,29);2*2-11,20H,12H2,1H3,(H2,25,26,28,29);2-11,19H,12H2,1H3,(H2,24,25,26,27)
InChIKeyLBMWDHDIDMXVHO-UHFFFAOYSA-N
XLogP18.08
TPSA500.71 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds34
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002126.37
LogP ≤ 518.08
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione (CID 159302484) is 5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione is CC(=O)c1cc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)ccn1.CC(=O)c1cccc(COc2ccc(Oc3ccncc3C3NC(=O)NC3=O)cc2)c1.CC(=O)c1cncc(COc2ccc(Sc3ccncc3C3NC(=O)NC3=O)cc2)c1.CCC1(c2cnccc2Sc2ccc(OCc3cccc(C)c3)cc2)NC(=O)NC1=O.Cc1cncc(COc2ccc(Sc3cnccc3C3NC(=O)NC3=O)cc2)c1.
What is the InChIKey of 5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is LBMWDHDIDMXVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S.C23H19N3O5.2C22H18N4O4S.C21H18N4O3S/c1-3-24(22(28)26-23(29)27-24)20-14-25-12-11-21(20)31-19-9-7-18(8-10-19)30-15-17-6-4-5-16(2)13-17;1-14(27)16-4-2-3-15(11-16)13-30-17-5-7-18(8-6-17)31-20-9-10-24-12-19(20)21-22(28)26-23(29)25-21;1-13(27)18-10-14(6-9-24-18)12-30-15-2-4-16(5-3-15)31-19-7-8-23-11-17(19)20-21(28)26-22(29)25-20;1-13(27)15-8-14(9-24-10-15)12-30-16-2-4-17(5-3-16)31-19-6-7-23-11-18(19)20-21(28)26-22(29)25-20;1-13-8-14(10-23-9-13)12-28-15-2-4-16(5-3-15)29-18-11-22-7-6-17(18)19-20(26)25-21(27)24-19/h4-14H,3,15H2,1-2H3,(H2,26,27,28,29);2-12,21H,13H2,1H3,(H2,25,26,28,29);2*2-11,20H,12H2,1H3,(H2,25,26,28,29);2-11,19H,12H2,1H3,(H2,24,25,26,27).
What are the key properties of 5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione?
5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 2126.37 g/mol, XLogP of 18.08, 34 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[(3-acetylphenyl)methoxy]phenoxy]-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(2-acetyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[4-[4-[(5-acetyl-3-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-ethyl-5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione;5-[3-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159302484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).