6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one

C127H129F5N20O12 — CID 158029534

About 6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one

6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one (PubChem CID 158029534) has the molecular formula C127H129F5N20O12 and a molecular weight of 2222.55 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one.

Molecular Properties

• Compound Name: 6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one
• PubChem CID: 158029534
• Molecular Formula: C127H129F5N20O12
• Molecular Weight: 2222.55 g/mol
• Exact Mass: 2221.00
• IUPAC Name: 6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one
• SMILES: COCCCCN1C(/C=C/c2ccc(-n3cnc(C)c3)c(OC)c2)=NC(=O)CC1(C)c1ccc(F)cc1.COCCN1C(/C=C/c2ccc(-n3cnc(C)c3)c(OC)c2)=NC(=O)C1(C)c1ccc(F)cc1.COc1cc(/C=C/C2=NC(=O)CC(C)(c3ccc(F)cc3)N2C)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NC(C)(c3ccc(F)cc3)C(=O)N2)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NC(C)(c3ccc(F)cc3)CC(=O)N2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C29H33FN4O3.C26H27FN4O3.C25H25FN4O2.C24H23FN4O2.C23H21FN4O2/c1-21-19-33(20-31-21)25-13-7-22(17-26(25)37-4)8-14-27-32-28(35)18-29(2,23-9-11-24(30)12-10-23)34(27)15-5-6-16-36-3;1-18-16-30(17-28-18)22-11-5-19(15-23(22)34-4)6-12-24-29-25(32)26(2,31(24)13-14-33-3)20-7-9-21(27)10-8-20;1-17-15-30(16-27-17)21-11-5-18(13-22(21)32-4)6-12-23-28-24(31)14-25(2,29(23)3)19-7-9-20(26)10-8-19;1-16-14-29(15-26-16)20-10-4-17(12-21(20)31-3)5-11-22-27-23(30)13-24(2,28-22)18-6-8-19(25)9-7-18;1-15-13-28(14-25-15)19-10-4-16(12-20(19)30-3)5-11-21-26-22(29)23(2,27-21)17-6-8-18(24)9-7-17/h7-14,17,19-20H,5-6,15-16,18H2,1-4H3;5-12,15-17H,13-14H2,1-4H3;5-13,15-16H,14H2,1-4H3;4-12,14-15H,13H2,1-3H3,(H,27,28,30);4-14H,1-3H3,(H,26,27,29)/b14-8+;2*12-6+;2*11-5+
• InChIKey: FGZYRSKOTJXGJZ-VXBFEBMTSA-N
• XLogP: 21.94
• TPSA: 334.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2222.55
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one?

The IUPAC name of 6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one (CID 158029534) is 6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one.

What is the SMILES notation for 6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one?

The canonical SMILES for 6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one is COCCCCN1C(/C=C/c2ccc(-n3cnc(C)c3)c(OC)c2)=NC(=O)CC1(C)c1ccc(F)cc1.COCCN1C(/C=C/c2ccc(-n3cnc(C)c3)c(OC)c2)=NC(=O)C1(C)c1ccc(F)cc1.COc1cc(/C=C/C2=NC(=O)CC(C)(c3ccc(F)cc3)N2C)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NC(C)(c3ccc(F)cc3)C(=O)N2)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NC(C)(c3ccc(F)cc3)CC(=O)N2)ccc1-n1cnc(C)c1.

What is the InChIKey of 6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one?

The InChIKey is FGZYRSKOTJXGJZ-VXBFEBMTSA-N. The full InChI is InChI=1S/C29H33FN4O3.C26H27FN4O3.C25H25FN4O2.C24H23FN4O2.C23H21FN4O2/c1-21-19-33(20-31-21)25-13-7-22(17-26(25)37-4)8-14-27-32-28(35)18-29(2,23-9-11-24(30)12-10-23)34(27)15-5-6-16-36-3;1-18-16-30(17-28-18)22-11-5-19(15-23(22)34-4)6-12-24-29-25(32)26(2,31(24)13-14-33-3)20-7-9-21(27)10-8-20;1-17-15-30(16-27-17)21-11-5-18(13-22(21)32-4)6-12-23-28-24(31)14-25(2,29(23)3)19-7-9-20(26)10-8-19;1-16-14-29(15-26-16)20-10-4-17(12-21(20)31-3)5-11-22-27-23(30)13-24(2,28-22)18-6-8-19(25)9-7-18;1-15-13-28(14-25-15)19-10-4-16(12-20(19)30-3)5-11-21-26-22(29)23(2,27-21)17-6-8-18(24)9-7-17/h7-14,17,19-20H,5-6,15-16,18H2,1-4H3;5-12,15-17H,13-14H2,1-4H3;5-13,15-16H,14H2,1-4H3;4-12,14-15H,13H2,1-3H3,(H,27,28,30);4-14H,1-3H3,(H,26,27,29)/b14-8+;2*12-6+;2*11-5+.

What are the key properties of 6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one?

6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one has a molecular weight of 2222.55 g/mol, XLogP of 21.94, 33 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1,5-dihydropyrimidin-6-one;4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 158029534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).