2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

C109H108F6N26O7S3 — CID 162120682

About 2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 162120682) has the molecular formula C109H108F6N26O7S3 and a molecular weight of 2104.43 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 162120682
• Molecular Formula: C109H108F6N26O7S3
• Molecular Weight: 2104.43 g/mol
• Exact Mass: 2102.80
• IUPAC Name: 2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(NCc1ncccc1F)c1coc(CCCCCc2nc3ccccc3[nH]2)n1.O=C(NCc1ncccc1F)c1coc(CCCCc2nc3ccccc3[nH]2)n1.O=C(NCc1ncccc1F)c1csc(CCCCCCc2nc3ccccc3[nH]2)n1.O=C(NCc1ncccc1F)c1csc(CCCCCc2nc3ccc(F)cc3[nH]2)n1.O=C(NCc1ncccc1F)c1csc(CCCNCc2nc3ccccc3[nH]2)n1
• InChI: InChI=1S/C23H24FN5OS.C22H21F2N5OS.C22H22FN5O2.C21H21FN6OS.C21H20FN5O2/c24-16-8-7-13-25-19(16)14-26-23(30)20-15-31-22(29-20)12-4-2-1-3-11-21-27-17-9-5-6-10-18(17)28-21;23-14-8-9-16-17(11-14)28-20(27-16)6-2-1-3-7-21-29-19(13-31-21)22(30)26-12-18-15(24)5-4-10-25-18;23-15-7-6-12-24-18(15)13-25-22(29)19-14-30-21(28-19)11-3-1-2-10-20-26-16-8-4-5-9-17(16)27-20;22-14-5-3-10-24-17(14)11-25-21(29)18-13-30-20(28-18)8-4-9-23-12-19-26-15-6-1-2-7-16(15)27-19;22-14-6-5-11-23-17(14)12-24-21(28)18-13-29-20(27-18)10-4-3-9-19-25-15-7-1-2-8-16(15)26-19/h5-10,13,15H,1-4,11-12,14H2,(H,26,30)(H,27,28);4-5,8-11,13H,1-3,6-7,12H2,(H,26,30)(H,27,28);4-9,12,14H,1-3,10-11,13H2,(H,25,29)(H,26,27);1-3,5-7,10,13,23H,4,8-9,11-12H2,(H,25,29)(H,26,27);1-2,5-8,11,13H,3-4,9-10,12H2,(H,24,28)(H,25,26)
• InChIKey: ZHJCCDCQGCYQIC-UHFFFAOYSA-N
• XLogP: 20.16
• TPSA: 456.11 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 45
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2104.43
LogP ≤ 5	20.16
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (CID 162120682) is 2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ncccc1F)c1coc(CCCCCc2nc3ccccc3[nH]2)n1.O=C(NCc1ncccc1F)c1coc(CCCCc2nc3ccccc3[nH]2)n1.O=C(NCc1ncccc1F)c1csc(CCCCCCc2nc3ccccc3[nH]2)n1.O=C(NCc1ncccc1F)c1csc(CCCCCc2nc3ccc(F)cc3[nH]2)n1.O=C(NCc1ncccc1F)c1csc(CCCNCc2nc3ccccc3[nH]2)n1.

What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is ZHJCCDCQGCYQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5OS.C22H21F2N5OS.C22H22FN5O2.C21H21FN6OS.C21H20FN5O2/c24-16-8-7-13-25-19(16)14-26-23(30)20-15-31-22(29-20)12-4-2-1-3-11-21-27-17-9-5-6-10-18(17)28-21;23-14-8-9-16-17(11-14)28-20(27-16)6-2-1-3-7-21-29-19(13-31-21)22(30)26-12-18-15(24)5-4-10-25-18;23-15-7-6-12-24-18(15)13-25-22(29)19-14-30-21(28-19)11-3-1-2-10-20-26-16-8-4-5-9-17(16)27-20;22-14-5-3-10-24-17(14)11-25-21(29)18-13-30-20(28-18)8-4-9-23-12-19-26-15-6-1-2-7-16(15)27-19;22-14-6-5-11-23-17(14)12-24-21(28)18-13-29-20(27-18)10-4-3-9-19-25-15-7-1-2-8-16(15)26-19/h5-10,13,15H,1-4,11-12,14H2,(H,26,30)(H,27,28);4-5,8-11,13H,1-3,6-7,12H2,(H,26,30)(H,27,28);4-9,12,14H,1-3,10-11,13H2,(H,25,29)(H,26,27);1-3,5-7,10,13,23H,4,8-9,11-12H2,(H,25,29)(H,26,27);1-2,5-8,11,13H,3-4,9-10,12H2,(H,24,28)(H,25,26).

What are the key properties of 2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?

2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 2104.43 g/mol, XLogP of 20.16, 45 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1H-benzimidazol-2-yl)butyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[6-(1H-benzimidazol-2-yl)hexyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[3-(1H-benzimidazol-2-ylmethylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;2-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;2-[5-(6-fluoro-1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 162120682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).