1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine

C141H139F9N20O4 — CID 159178216

About 1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine

1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine (PubChem CID 159178216) has the molecular formula C141H139F9N20O4 and a molecular weight of 2348.78 g/mol. Its IUPAC name is 1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine.

Molecular Properties

• Compound Name: 1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine
• PubChem CID: 159178216
• Molecular Formula: C141H139F9N20O4
• Molecular Weight: 2348.78 g/mol
• Exact Mass: 2347.11
• IUPAC Name: 1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine
• SMILES: CC(C)=CCOc1cccc(N2CCN(Cc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)CC2)c1.COc1ccc(CN2CCN(Cc3nc(-c4cccc(F)c4)c(-c4cccc(F)c4)[nH]3)CC2)cc1.COc1cccc(N2CCN(Cc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)CC2)c1.Fc1cccc(-c2nc(CN3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)[nH]c2-c2cccc(F)c2)c1.O=C(c1ccccc1)N1CCN(Cc2nc(-c3cccc(F)c3)c(-c3cccc(F)c3)[nH]2)CC1
• InChI: InChI=1S/C31H34N4O.C28H25F5N4.C28H28F2N4O.C27H24F2N4O.C27H28N4O/c1-24(2)16-21-36-28-15-9-14-27(22-28)35-19-17-34(18-20-35)23-29-32-30(25-10-5-3-6-11-25)31(33-29)26-12-7-4-8-13-26;29-23-5-1-3-20(15-23)26-27(21-4-2-6-24(30)16-21)35-25(34-26)18-37-13-11-36(12-14-37)17-19-7-9-22(10-8-19)28(31,32)33;1-35-25-10-8-20(9-11-25)18-33-12-14-34(15-13-33)19-26-31-27(21-4-2-6-23(29)16-21)28(32-26)22-5-3-7-24(30)17-22;28-22-10-4-8-20(16-22)25-26(21-9-5-11-23(29)17-21)31-24(30-25)18-32-12-14-33(15-13-32)27(34)19-6-2-1-3-7-19;1-32-24-14-8-13-23(19-24)31-17-15-30(16-18-31)20-25-28-26(21-9-4-2-5-10-21)27(29-25)22-11-6-3-7-12-22/h3-16,22H,17-21,23H2,1-2H3,(H,32,33);1-10,15-16H,11-14,17-18H2,(H,34,35);2-11,16-17H,12-15,18-19H2,1H3,(H,31,32);1-11,16-17H,12-15,18H2,(H,30,31);2-14,19H,15-18,20H2,1H3,(H,28,29)
• InChIKey: KMNZWJQWNWNECQ-UHFFFAOYSA-N
• XLogP: 28.17
• TPSA: 220.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 32
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2348.78
LogP ≤ 5	28.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine?

The IUPAC name of 1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine (CID 159178216) is 1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine.

What is the SMILES notation for 1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine?

The canonical SMILES for 1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine is CC(C)=CCOc1cccc(N2CCN(Cc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)CC2)c1.COc1ccc(CN2CCN(Cc3nc(-c4cccc(F)c4)c(-c4cccc(F)c4)[nH]3)CC2)cc1.COc1cccc(N2CCN(Cc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)CC2)c1.Fc1cccc(-c2nc(CN3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)[nH]c2-c2cccc(F)c2)c1.O=C(c1ccccc1)N1CCN(Cc2nc(-c3cccc(F)c3)c(-c3cccc(F)c3)[nH]2)CC1.

What is the InChIKey of 1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine?

The InChIKey is KMNZWJQWNWNECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O.C28H25F5N4.C28H28F2N4O.C27H24F2N4O.C27H28N4O/c1-24(2)16-21-36-28-15-9-14-27(22-28)35-19-17-34(18-20-35)23-29-32-30(25-10-5-3-6-11-25)31(33-29)26-12-7-4-8-13-26;29-23-5-1-3-20(15-23)26-27(21-4-2-6-24(30)16-21)35-25(34-26)18-37-13-11-36(12-14-37)17-19-7-9-22(10-8-19)28(31,32)33;1-35-25-10-8-20(9-11-25)18-33-12-14-34(15-13-33)19-26-31-27(21-4-2-6-23(29)16-21)28(32-26)22-5-3-7-24(30)17-22;28-22-10-4-8-20(16-22)25-26(21-9-5-11-23(29)17-21)31-24(30-25)18-32-12-14-33(15-13-32)27(34)19-6-2-1-3-7-19;1-32-24-14-8-13-23(19-24)31-17-15-30(16-18-31)20-25-28-26(21-9-4-2-5-10-21)27(29-25)22-11-6-3-7-12-22/h3-16,22H,17-21,23H2,1-2H3,(H,32,33);1-10,15-16H,11-14,17-18H2,(H,34,35);2-11,16-17H,12-15,18-19H2,1H3,(H,31,32);1-11,16-17H,12-15,18H2,(H,30,31);2-14,19H,15-18,20H2,1H3,(H,28,29).

What are the key properties of 1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine?

1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine has a molecular weight of 2348.78 g/mol, XLogP of 28.17, 32 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine is sourced from PubChem (CID 159178216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).