[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone

C61H58BrF3N6O6 — CID 157465337

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 157465337) has the molecular formula C61H58BrF3N6O6 and a molecular weight of 1108.07 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 157465337
• Molecular Formula: C61H58BrF3N6O6
• Molecular Weight: 1108.07 g/mol
• Exact Mass: 1106.36
• IUPAC Name: [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone
• SMILES: Fc1ccc(CBr)cc1.O=C(c1ccc(O)c(CO)c1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(OCc2ccc(F)cc2)c(CO)c1)N1CCC(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
• InChI: InChI=1S/C34H31F2N3O3.C20H21N3O3.C7H6BrF/c35-28-10-5-23(6-11-28)20-39-31-4-2-1-3-30(31)37-33(39)25-15-17-38(18-16-25)34(41)26-9-14-32(27(19-26)21-40)42-22-24-7-12-29(36)13-8-24;24-12-15-11-14(5-6-18(15)25)20(26)23-9-7-13(8-10-23)19-21-16-3-1-2-4-17(16)22-19;8-5-6-1-3-7(9)4-2-6/h1-14,19,25,40H,15-18,20-22H2;1-6,11,13,24-25H,7-10,12H2,(H,21,22);1-4H,5H2
• InChIKey: BUKFWHKQJPMPBN-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 157.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1108.07
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone (CID 157465337) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone is Fc1ccc(CBr)cc1.O=C(c1ccc(O)c(CO)c1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(OCc2ccc(F)cc2)c(CO)c1)N1CCC(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1.

What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is BUKFWHKQJPMPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F2N3O3.C20H21N3O3.C7H6BrF/c35-28-10-5-23(6-11-28)20-39-31-4-2-1-3-30(31)37-33(39)25-15-17-38(18-16-25)34(41)26-9-14-32(27(19-26)21-40)42-22-24-7-12-29(36)13-8-24;24-12-15-11-14(5-6-18(15)25)20(26)23-9-7-13(8-10-23)19-21-16-3-1-2-4-17(16)22-19;8-5-6-1-3-7(9)4-2-6/h1-14,19,25,40H,15-18,20-22H2;1-6,11,13,24-25H,7-10,12H2,(H,21,22);1-4H,5H2.

What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone?

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 1108.07 g/mol, XLogP of 11.96, 12 rotatable bonds, 4 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]-[4-hydroxy-3-(hydroxymethyl)phenyl]methanone;1-(bromomethyl)-4-fluorobenzene;[4-[(4-fluorophenyl)methoxy]-3-(hydroxymethyl)phenyl]-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 157465337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).