5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone

C106H89ClF6N18O20 — CID 158245209

About 5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone

5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone (PubChem CID 158245209) has the molecular formula C106H89ClF6N18O20 and a molecular weight of 2084.42 g/mol. Its IUPAC name is 5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone.

Molecular Properties

• Compound Name: 5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone
• PubChem CID: 158245209
• Molecular Formula: C106H89ClF6N18O20
• Molecular Weight: 2084.42 g/mol
• Exact Mass: 2082.61
• IUPAC Name: 5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone
• SMILES: CC(=O)c1ccc([N+](=O)[O-])cc1.CC1(c2ccc(Cc3nc(-c4c(F)cccc4F)nc4c3C(=O)NC4)cc2)CC(=O)NC1=O.CC1(c2ccc(N)cc2)NC(=O)NC1=O.CC1(c2ccc([N+](=O)[O-])cc2)NC(=O)NC1=O.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cc4ccc(C5(C)CC(=O)NC5=O)cc4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cl)c3C2=O)c(OC)c1
• InChI: InChI=1S/C33H28F2N4O5.C24H18F2N4O3.C21H16ClF2N3O3.C10H9N3O4.C10H11N3O2.C8H7NO3/c1-33(15-27(40)38-32(33)42)20-10-7-18(8-11-20)13-24-29-25(37-30(36-24)28-22(34)5-4-6-23(28)35)17-39(31(29)41)16-19-9-12-21(43-2)14-26(19)44-3;1-24(10-18(31)30-23(24)33)13-7-5-12(6-8-13)9-16-20-17(11-27-22(20)32)29-21(28-16)19-14(25)3-2-4-15(19)26;1-29-12-7-6-11(16(8-12)30-2)9-27-10-15-18(21(27)28)19(22)26-20(25-15)17-13(23)4-3-5-14(17)24;1-10(8(14)11-9(15)12-10)6-2-4-7(5-3-6)13(16)17;1-10(8(14)12-9(15)13-10)6-2-4-7(11)5-3-6;1-6(10)7-2-4-8(5-3-7)9(11)12/h4-12,14H,13,15-17H2,1-3H3,(H,38,40,42);2-8H,9-11H2,1H3,(H,27,32)(H,30,31,33);3-8H,9-10H2,1-2H3;2-5H,1H3,(H2,11,12,14,15);2-5H,11H2,1H3,(H2,12,13,14,15);2-5H,1H3
• InChIKey: GGAOAPYWDBMMTQ-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 522.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2084.42
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone?

The IUPAC name of 5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone (CID 158245209) is 5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone.

What is the SMILES notation for 5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone?

The canonical SMILES for 5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone is CC(=O)c1ccc([N+](=O)[O-])cc1.CC1(c2ccc(Cc3nc(-c4c(F)cccc4F)nc4c3C(=O)NC4)cc2)CC(=O)NC1=O.CC1(c2ccc(N)cc2)NC(=O)NC1=O.CC1(c2ccc([N+](=O)[O-])cc2)NC(=O)NC1=O.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cc4ccc(C5(C)CC(=O)NC5=O)cc4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)nc(Cl)c3C2=O)c(OC)c1.

What is the InChIKey of 5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone?

The InChIKey is GGAOAPYWDBMMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F2N4O5.C24H18F2N4O3.C21H16ClF2N3O3.C10H9N3O4.C10H11N3O2.C8H7NO3/c1-33(15-27(40)38-32(33)42)20-10-7-18(8-11-20)13-24-29-25(37-30(36-24)28-22(34)5-4-6-23(28)35)17-39(31(29)41)16-19-9-12-21(43-2)14-26(19)44-3;1-24(10-18(31)30-23(24)33)13-7-5-12(6-8-13)9-16-20-17(11-27-22(20)32)29-21(28-16)19-14(25)3-2-4-15(19)26;1-29-12-7-6-11(16(8-12)30-2)9-27-10-15-18(21(27)28)19(22)26-20(25-15)17-13(23)4-3-5-14(17)24;1-10(8(14)11-9(15)12-10)6-2-4-7(5-3-6)13(16)17;1-10(8(14)12-9(15)13-10)6-2-4-7(11)5-3-6;1-6(10)7-2-4-8(5-3-7)9(11)12/h4-12,14H,13,15-17H2,1-3H3,(H,38,40,42);2-8H,9-11H2,1H3,(H,27,32)(H,30,31,33);3-8H,9-10H2,1-2H3;2-5H,1H3,(H2,11,12,14,15);2-5H,11H2,1H3,(H2,12,13,14,15);2-5H,1H3.

What are the key properties of 5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone?

5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone has a molecular weight of 2084.42 g/mol, XLogP of 14.07, 22 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-aminophenyl)-5-methylimidazolidine-2,4-dione;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;3-[4-[[2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;3-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]methyl]phenyl]-3-methylpyrrolidine-2,5-dione;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione;1-(4-nitrophenyl)ethanone is sourced from PubChem (CID 158245209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).