N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide

C142H151F8N31O9 — CID 167691968

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide (PubChem CID 167691968) has the molecular formula C142H151F8N31O9 and a molecular weight of 2587.96 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
• PubChem CID: 167691968
• Molecular Formula: C142H151F8N31O9
• Molecular Weight: 2587.96 g/mol
• Exact Mass: 2586.22
• IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
• SMILES: CC(=O)N1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4C(C)C)[nH]3)cc2)CC1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1cccc(C(=O)Nc2ccc(CCO)cc2)n1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)n1.CC1CN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(F)(F)F)[nH]3)cc2)CC(C)N1C.O=C(Nc1ccc(N2CCN(CCO)CC2)cc1)c1cnc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)[nH]1
• InChI: InChI=1S/C31H36FN7O3.C29H31FN6O.C28H29F4N7O.C28H30FN7O2.C26H25FN4O2/c32-22-3-1-21(2-4-22)28-29(39(20-34-28)25-9-11-26(41)12-10-25)30-33-19-27(36-30)31(42)35-23-5-7-24(8-6-23)38-15-13-37(14-16-38)17-18-40;1-20(2)36-19-31-27(21-7-9-22(30)10-8-21)28(36)25-5-4-6-26(33-25)29(37)32-23-11-13-24(14-12-23)35-17-15-34(3)16-18-35;1-17-13-38(14-18(2)37(17)3)22-10-8-21(9-11-22)35-27(40)23-12-33-26(36-23)25-24(19-4-6-20(29)7-5-19)34-16-39(25)15-28(30,31)32;1-18(2)36-17-31-25(20-4-6-21(29)7-5-20)26(36)27-30-16-24(33-27)28(38)32-22-8-10-23(11-9-22)35-14-12-34(13-15-35)19(3)37;1-17(2)31-16-28-24(19-8-10-20(27)11-9-19)25(31)22-4-3-5-23(30-22)26(33)29-21-12-6-18(7-13-21)14-15-32/h1-8,19-20,25-26,40-41H,9-18H2,(H,33,36)(H,35,42);4-14,19-20H,15-18H2,1-3H3,(H,32,37);4-12,16-18H,13-15H2,1-3H3,(H,33,36)(H,35,40);4-11,16-18H,12-15H2,1-3H3,(H,30,33)(H,32,38);3-13,16-17,32H,14-15H2,1-2H3,(H,29,33)
• InChIKey: XBVOZCVXFZXFFC-UHFFFAOYSA-N
• XLogP: 24.38
• TPSA: 450.10 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 33
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2587.96
LogP ≤ 5	24.38
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?

The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide (CID 167691968) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide.

What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?

The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide is CC(=O)N1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4C(C)C)[nH]3)cc2)CC1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1cccc(C(=O)Nc2ccc(CCO)cc2)n1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)n1.CC1CN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(F)(F)F)[nH]3)cc2)CC(C)N1C.O=C(Nc1ccc(N2CCN(CCO)CC2)cc1)c1cnc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)[nH]1.

What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?

The InChIKey is XBVOZCVXFZXFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN7O3.C29H31FN6O.C28H29F4N7O.C28H30FN7O2.C26H25FN4O2/c32-22-3-1-21(2-4-22)28-29(39(20-34-28)25-9-11-26(41)12-10-25)30-33-19-27(36-30)31(42)35-23-5-7-24(8-6-23)38-15-13-37(14-16-38)17-18-40;1-20(2)36-19-31-27(21-7-9-22(30)10-8-21)28(36)25-5-4-6-26(33-25)29(37)32-23-11-13-24(14-12-23)35-17-15-34(3)16-18-35;1-17-13-38(14-18(2)37(17)3)22-10-8-21(9-11-22)35-27(40)23-12-33-26(36-23)25-24(19-4-6-20(29)7-5-19)34-16-39(25)15-28(30,31)32;1-18(2)36-17-31-25(20-4-6-21(29)7-5-20)26(36)27-30-16-24(33-27)28(38)32-22-8-10-23(11-9-22)35-14-12-34(13-15-35)19(3)37;1-17(2)31-16-28-24(19-8-10-20(27)11-9-19)25(31)22-4-3-5-23(30-22)26(33)29-21-12-6-18(7-13-21)14-15-32/h1-8,19-20,25-26,40-41H,9-18H2,(H,33,36)(H,35,42);4-14,19-20H,15-18H2,1-3H3,(H,32,37);4-12,16-18H,13-15H2,1-3H3,(H,33,36)(H,35,40);4-11,16-18H,12-15H2,1-3H3,(H,30,33)(H,32,38);3-13,16-17,32H,14-15H2,1-2H3,(H,29,33).

What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 2587.96 g/mol, XLogP of 24.38, 33 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(4-hydroxycyclohexyl)imidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide;6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 167691968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).