5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide)

C161H176F6N38O11 — CID 167701593

About 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide)

5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide) (PubChem CID 167701593) has the molecular formula C161H176F6N38O11 and a molecular weight of 2933.42 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide).

Molecular Properties

• Compound Name: 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide)
• PubChem CID: 167701593
• Molecular Formula: C161H176F6N38O11
• Molecular Weight: 2933.42 g/mol
• Exact Mass: 2931.43
• IUPAC Name: 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide)
• SMILES: CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccc(CCO)cc2)o1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1
• InChI: InChI=1S/3C28H32FN7O2.2C26H28FN7O.C25H24FN3O3/c3*1-19(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;2*1-17(2)34-16-30-23(18-3-5-19(27)6-4-18)24(34)25-29-15-22(32-25)26(35)31-20-7-9-21(10-8-20)33-13-11-28-12-14-33;1-16(2)29-15-27-23(18-5-7-19(26)8-6-18)24(29)21-11-12-22(32-21)25(31)28-20-9-3-17(4-10-20)13-14-30/h3*3-10,17-19,37H,11-16H2,1-2H3,(H,30,33)(H,32,38);2*3-10,15-17,28H,11-14H2,1-2H3,(H,29,32)(H,31,35);3-12,15-16,30H,13-14H2,1-2H3,(H,28,31)
• InChIKey: YLXNIKXZRIYNOK-UHFFFAOYSA-N
• XLogP: 26.04
• TPSA: 568.96 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 38
• Rotatable Bonds: 43
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2933.42
LogP ≤ 5	26.04
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide)?

The IUPAC name of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide) (CID 167701593) is 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide).

What is the SMILES notation for 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide)?

The canonical SMILES for 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide) is CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccc(CCO)cc2)o1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1.

What is the InChIKey of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide)?

The InChIKey is YLXNIKXZRIYNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C28H32FN7O2.2C26H28FN7O.C25H24FN3O3/c3*1-19(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;2*1-17(2)34-16-30-23(18-3-5-19(27)6-4-18)24(34)25-29-15-22(32-25)26(35)31-20-7-9-21(10-8-20)33-13-11-28-12-14-33;1-16(2)29-15-27-23(18-5-7-19(26)8-6-18)24(29)21-11-12-22(32-21)25(31)28-20-9-3-17(4-10-20)13-14-30/h3*3-10,17-19,37H,11-16H2,1-2H3,(H,30,33)(H,32,38);2*3-10,15-17,28H,11-14H2,1-2H3,(H,29,32)(H,31,35);3-12,15-16,30H,13-14H2,1-2H3,(H,28,31).

What are the key properties of 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide)?

5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide) has a molecular weight of 2933.42 g/mol, XLogP of 26.04, 43 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide) is sourced from PubChem (CID 167701593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).