N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide

C55H56F4N14O4 — CID 167553790

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide (PubChem CID 167553790) has the molecular formula C55H56F4N14O4 and a molecular weight of 1053.14 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
• PubChem CID: 167553790
• Molecular Formula: C55H56F4N14O4
• Molecular Weight: 1053.14 g/mol
• Exact Mass: 1052.45
• IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
• SMILES: CC(=O)N1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)C(=O)C3)cc2)[nH]1
• InChI: InChI=1S/C28H28F3N7O2.C27H28FN7O2/c1-18(39)36-11-13-37(14-12-36)22-9-7-21(8-10-22)34-27(40)23-15-32-26(35-23)25-24(19-3-5-20(29)6-4-19)33-17-38(25)16-28(2,30)31;1-17(2)35-16-30-24(18-4-6-19(28)7-5-18)25(35)26-29-14-22(32-26)27(37)31-20-8-10-21(11-9-20)34-13-12-33(3)23(36)15-34/h3-10,15,17H,11-14,16H2,1-2H3,(H,32,35)(H,34,40);4-11,14,16-17H,12-13,15H2,1-3H3,(H,29,32)(H,31,37)
• InChIKey: CSYGRBSCTKHWBG-UHFFFAOYSA-N
• XLogP: 8.85
• TPSA: 198.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1053.14
LogP ≤ 5	8.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?

The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide (CID 167553790) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide.

What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?

The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide is CC(=O)N1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)C(=O)C3)cc2)[nH]1.

What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?

The InChIKey is CSYGRBSCTKHWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N7O2.C27H28FN7O2/c1-18(39)36-11-13-37(14-12-36)22-9-7-21(8-10-22)34-27(40)23-15-32-26(35-23)25-24(19-3-5-20(29)6-4-19)33-17-38(25)16-28(2,30)31;1-17(2)35-16-30-24(18-4-6-19(28)7-5-18)25(35)26-29-14-22(32-26)27(37)31-20-8-10-21(11-9-20)34-13-12-33(3)23(36)15-34/h3-10,15,17H,11-14,16H2,1-2H3,(H,32,35)(H,34,40);4-11,14,16-17H,12-13,15H2,1-3H3,(H,29,32)(H,31,37).

What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 1053.14 g/mol, XLogP of 8.85, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 167553790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).