2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide

C135H133F16N35O8 — CID 167617233

About 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide

2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide (PubChem CID 167617233) has the molecular formula C135H133F16N35O8 and a molecular weight of 2677.75 g/mol. Its IUPAC name is 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide
• PubChem CID: 167617233
• Molecular Formula: C135H133F16N35O8
• Molecular Weight: 2677.75 g/mol
• Exact Mass: 2676.08
• IUPAC Name: 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide
• SMILES: CC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1.CC1CN(c2ccc(NC(=O)C3=NC(c4c(-c5ccc(F)cc5)ncn4CC(F)(F)F)N=C3)cc2)CC(C)N1C.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)C(=O)C1=O.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1=O
• InChI: InChI=1S/C28H29F4N7O.C27H24F3N7O3.C27H26F3N7O2.C27H28F3N7O.C26H26F3N7O/c1-17-13-38(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;1-27(29,30)14-36-15-32-21(16-3-5-17(28)6-4-16)22(36)23-31-13-20(34-23)24(38)33-18-7-9-19(10-8-18)37-12-11-35(2)25(39)26(37)40;1-27(29,30)15-37-16-32-23(17-3-5-18(28)6-4-17)24(37)25-31-13-21(34-25)26(39)33-19-7-9-20(10-8-19)36-12-11-35(2)22(38)14-36;1-27(29,30)16-37-17-32-23(18-3-5-19(28)6-4-18)24(37)25-31-15-22(34-25)26(38)33-20-7-9-21(10-8-20)36-13-11-35(2)12-14-36;1-26(28,29)15-36-16-32-22(17-2-4-18(27)5-3-17)23(36)24-31-14-21(34-24)25(37)33-19-6-8-20(9-7-19)35-12-10-30-11-13-35/h4-12,16-18,26H,13-15H2,1-3H3,(H,35,40);3-10,13,15H,11-12,14H2,1-2H3,(H,31,34)(H,33,38);3-10,13,16H,11-12,14-15H2,1-2H3,(H,31,34)(H,33,39);3-10,15,17H,11-14,16H2,1-2H3,(H,31,34)(H,33,38);2-9,14,16,30H,10-13,15H2,1H3,(H,31,34)(H,33,37)
• InChIKey: LXLYKYQSMHGPBJ-UHFFFAOYSA-N
• XLogP: 22.14
• TPSA: 466.44 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 34
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2677.75
LogP ≤ 5	22.14
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide?

The IUPAC name of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide (CID 167617233) is 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide.

What is the SMILES notation for 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide?

The canonical SMILES for 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide is CC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1.CC1CN(c2ccc(NC(=O)C3=NC(c4c(-c5ccc(F)cc5)ncn4CC(F)(F)F)N=C3)cc2)CC(C)N1C.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)C(=O)C1=O.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1=O.

What is the InChIKey of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide?

The InChIKey is LXLYKYQSMHGPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F4N7O.C27H24F3N7O3.C27H26F3N7O2.C27H28F3N7O.C26H26F3N7O/c1-17-13-38(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;1-27(29,30)14-36-15-32-21(16-3-5-17(28)6-4-16)22(36)23-31-13-20(34-23)24(38)33-18-7-9-19(10-8-18)37-12-11-35(2)25(39)26(37)40;1-27(29,30)15-37-16-32-23(17-3-5-18(28)6-4-17)24(37)25-31-13-21(34-25)26(39)33-19-7-9-20(10-8-19)36-12-11-35(2)22(38)14-36;1-27(29,30)16-37-17-32-23(18-3-5-19(28)6-4-18)24(37)25-31-15-22(34-25)26(38)33-20-7-9-21(10-8-20)36-13-11-35(2)12-14-36;1-26(28,29)15-36-16-32-22(17-2-4-18(27)5-3-17)23(36)24-31-14-21(34-24)25(37)33-19-6-8-20(9-7-19)35-12-10-30-11-13-35/h4-12,16-18,26H,13-15H2,1-3H3,(H,35,40);3-10,13,15H,11-12,14H2,1-2H3,(H,31,34)(H,33,38);3-10,13,16H,11-12,14-15H2,1-2H3,(H,31,34)(H,33,39);3-10,15,17H,11-14,16H2,1-2H3,(H,31,34)(H,33,38);2-9,14,16,30H,10-13,15H2,1H3,(H,31,34)(H,33,37).

What are the key properties of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide?

2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide has a molecular weight of 2677.75 g/mol, XLogP of 22.14, 34 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)imidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-2H-imidazole-4-carboxamide is sourced from PubChem (CID 167617233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).