2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide

C109H118ClF7N29O7+ — CID 167532029

About 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide

2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide (PubChem CID 167532029) has the molecular formula C109H118ClF7N29O7+ and a molecular weight of 2114.78 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide
• PubChem CID: 167532029
• Molecular Formula: C109H118ClF7N29O7+
• Molecular Weight: 2114.78 g/mol
• Exact Mass: 2112.93
• IUPAC Name: 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide
• SMILES: CC(C)n1cnc(-c2ccc(Cl)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C(N)=O)CC3)cc2)[nH]1.CC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CC[N+](C)(O)CC3)cc2)[nH]1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1
• InChI: InChI=1S/C28H32ClN7O2.C27H28F3N7O2.C27H28F3N7O.C27H29FN8O2/c1-19(2)36-18-31-25(20-3-5-21(29)6-4-20)26(36)27-30-17-24(33-27)28(38)32-22-7-9-23(10-8-22)35-13-11-34(12-14-35)15-16-37;1-27(29,30)16-36-17-32-23(18-3-5-19(28)6-4-18)24(36)25-31-15-22(34-25)26(38)33-20-7-9-21(10-8-20)35-11-13-37(2,39)14-12-35;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;1-17(2)36-16-31-23(18-3-5-19(28)6-4-18)24(36)25-30-15-22(33-25)26(37)32-20-7-9-21(10-8-20)34-11-13-35(14-12-34)27(29)38/h3-10,17-19,37H,11-16H2,1-2H3,(H,30,33)(H,32,38);3-10,15,17,39H,11-14,16H2,1-2H3,(H-,31,33,34,38);3-10,15,17H,11-14,16H2,1-2H3,(H,31,34)(H,33,38);3-10,15-17H,11-14H2,1-2H3,(H2,29,38)(H,30,33)(H,32,37)/p+1
• InChIKey: ACEHLJCIHJKERR-UHFFFAOYSA-O
• XLogP: 18.04
• TPSA: 408.63 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2114.78
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide?

The IUPAC name of 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide (CID 167532029) is 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide.

What is the SMILES notation for 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide?

The canonical SMILES for 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide is CC(C)n1cnc(-c2ccc(Cl)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C(N)=O)CC3)cc2)[nH]1.CC(F)(F)Cn1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CC[N+](C)(O)CC3)cc2)[nH]1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1.

What is the InChIKey of 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide?

The InChIKey is ACEHLJCIHJKERR-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H32ClN7O2.C27H28F3N7O2.C27H28F3N7O.C27H29FN8O2/c1-19(2)36-18-31-25(20-3-5-21(29)6-4-20)26(36)27-30-17-24(33-27)28(38)32-22-7-9-23(10-8-22)35-13-11-34(12-14-35)15-16-37;1-27(29,30)16-36-17-32-23(18-3-5-19(28)6-4-18)24(36)25-31-15-22(34-25)26(38)33-20-7-9-21(10-8-20)35-11-13-37(2,39)14-12-35;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;1-17(2)36-16-31-23(18-3-5-19(28)6-4-18)24(36)25-30-15-22(33-25)26(37)32-20-7-9-21(10-8-20)34-11-13-35(14-12-34)27(29)38/h3-10,17-19,37H,11-16H2,1-2H3,(H,30,33)(H,32,38);3-10,15,17,39H,11-14,16H2,1-2H3,(H-,31,33,34,38);3-10,15,17H,11-14,16H2,1-2H3,(H,31,34)(H,33,38);3-10,15-17H,11-14H2,1-2H3,(H2,29,38)(H,30,33)(H,32,37)/p+1.

What are the key properties of 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide?

2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide has a molecular weight of 2114.78 g/mol, XLogP of 18.04, 28 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-hydroxy-4-methylpiperazin-4-ium-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;4-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 167532029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).