2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid

C131H134F9N31O10 — CID 167669561

About 2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid

2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid (PubChem CID 167669561) has the molecular formula C131H134F9N31O10 and a molecular weight of 2473.70 g/mol. Its IUPAC name is 2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid.

Molecular Properties

• Compound Name: 2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid
• PubChem CID: 167669561
• Molecular Formula: C131H134F9N31O10
• Molecular Weight: 2473.70 g/mol
• Exact Mass: 2472.08
• IUPAC Name: 2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid
• SMILES: CC(C)n1cnc(-c2ccc(F)c(F)c2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)c(F)c2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(CCC(=O)O)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(CCO)cc2)[nH]1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1=O
• InChI: InChI=1S/C28H31F2N7O2.C27H26F3N7O2.C27H29F2N7O.C25H24FN5O3.C24H24FN5O2/c1-18(2)37-17-32-25(19-3-8-22(29)23(30)15-19)26(37)27-31-16-24(34-27)28(39)33-20-4-6-21(7-5-20)36-11-9-35(10-12-36)13-14-38;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;1-17(2)36-16-31-24(18-4-9-21(28)22(29)14-18)25(36)26-30-15-23(33-26)27(37)32-19-5-7-20(8-6-19)35-12-10-34(3)11-13-35;1-15(2)31-14-28-22(17-6-8-18(26)9-7-17)23(31)24-27-13-20(30-24)25(34)29-19-10-3-16(4-11-19)5-12-21(32)33;1-15(2)30-14-27-21(17-5-7-18(25)8-6-17)22(30)23-26-13-20(29-23)24(32)28-19-9-3-16(4-10-19)11-12-31/h3-8,15-18,38H,9-14H2,1-2H3,(H,31,34)(H,33,39);3-10,13,16H,11-12,14-15H2,1-2H3,(H,31,34)(H,33,39);4-9,14-17H,10-13H2,1-3H3,(H,30,33)(H,32,37);3-4,6-11,13-15H,5,12H2,1-2H3,(H,27,30)(H,29,34)(H,32,33);3-10,13-15,31H,11-12H2,1-2H3,(H,26,29)(H,28,32)
• InChIKey: TXCPTCABHBFVTR-UHFFFAOYSA-N
• XLogP: 22.61
• TPSA: 492.27 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2473.70
LogP ≤ 5	22.61
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid?

The IUPAC name of 2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid (CID 167669561) is 2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid.

What is the SMILES notation for 2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid?

The canonical SMILES for 2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid is CC(C)n1cnc(-c2ccc(F)c(F)c2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)c(F)c2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(CCC(=O)O)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(CCO)cc2)[nH]1.CN1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc2)CC1=O.

What is the InChIKey of 2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid?

The InChIKey is TXCPTCABHBFVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2N7O2.C27H26F3N7O2.C27H29F2N7O.C25H24FN5O3.C24H24FN5O2/c1-18(2)37-17-32-25(19-3-8-22(29)23(30)15-19)26(37)27-31-16-24(34-27)28(39)33-20-4-6-21(7-5-20)36-11-9-35(10-12-36)13-14-38;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;1-17(2)36-16-31-24(18-4-9-21(28)22(29)14-18)25(36)26-30-15-23(33-26)27(37)32-19-5-7-20(8-6-19)35-12-10-34(3)11-13-35;1-15(2)31-14-28-22(17-6-8-18(26)9-7-17)23(31)24-27-13-20(30-24)25(34)29-19-10-3-16(4-11-19)5-12-21(32)33;1-15(2)30-14-27-21(17-5-7-18(25)8-6-17)22(30)23-26-13-20(29-23)24(32)28-19-9-3-16(4-10-19)11-12-31/h3-8,15-18,38H,9-14H2,1-2H3,(H,31,34)(H,33,39);3-10,13,16H,11-12,14-15H2,1-2H3,(H,31,34)(H,33,39);4-9,14-17H,10-13H2,1-3H3,(H,30,33)(H,32,37);3-4,6-11,13-15H,5,12H2,1-2H3,(H,27,30)(H,29,34)(H,32,33);3-10,13-15,31H,11-12H2,1-2H3,(H,26,29)(H,28,32).

What are the key properties of 2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid?

2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid has a molecular weight of 2473.70 g/mol, XLogP of 22.61, 36 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(3,4-difluorophenyl)-3-propan-2-ylimidazol-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-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 167669561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).