[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole

C56H53ClF6N6O6 — CID 161439202

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole (PubChem CID 161439202) has the molecular formula C56H53ClF6N6O6 and a molecular weight of 1055.52 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole.

Molecular Properties

• Compound Name: [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole
• PubChem CID: 161439202
• Molecular Formula: C56H53ClF6N6O6
• Molecular Weight: 1055.52 g/mol
• Exact Mass: 1054.36
• IUPAC Name: [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole
• SMILES: COc1cc(C(=O)Cl)ccc1OCc1cccc(C(F)(F)F)c1.COc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OCc1cccc(C(F)(F)F)c1.c1ccc2[nH]c(C3CCNCC3)nc2c1
• InChI: InChI=1S/C28H26F3N3O3.C16H12ClF3O3.C12H15N3/c1-36-25-16-20(9-10-24(25)37-17-18-5-4-6-21(15-18)28(29,30)31)27(35)34-13-11-19(12-14-34)26-32-22-7-2-3-8-23(22)33-26;1-22-14-8-11(15(17)21)5-6-13(14)23-9-10-3-2-4-12(7-10)16(18,19)20;1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h2-10,15-16,19H,11-14,17H2,1H3,(H,32,33);2-8H,9H2,1H3;1-4,9,13H,5-8H2,(H,14,15)
• InChIKey: VZAWVQPMIOKOBK-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 143.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1055.52
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole?

The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole (CID 161439202) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole.

What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole?

The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole is COc1cc(C(=O)Cl)ccc1OCc1cccc(C(F)(F)F)c1.COc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)ccc1OCc1cccc(C(F)(F)F)c1.c1ccc2[nH]c(C3CCNCC3)nc2c1.

What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole?

The InChIKey is VZAWVQPMIOKOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O3.C16H12ClF3O3.C12H15N3/c1-36-25-16-20(9-10-24(25)37-17-18-5-4-6-21(15-18)28(29,30)31)27(35)34-13-11-19(12-14-34)26-32-22-7-2-3-8-23(22)33-26;1-22-14-8-11(15(17)21)5-6-13(14)23-9-10-3-2-4-12(7-10)16(18,19)20;1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h2-10,15-16,19H,11-14,17H2,1H3,(H,32,33);2-8H,9H2,1H3;1-4,9,13H,5-8H2,(H,14,15).

What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole?

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole has a molecular weight of 1055.52 g/mol, XLogP of 12.89, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanone;3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzoyl chloride;2-piperidin-4-yl-1H-benzimidazole is sourced from PubChem (CID 161439202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).