N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide

C27H26BrFN4O — CID 124782733

About N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide

N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 124782733) has the molecular formula C27H26BrFN4O and a molecular weight of 521.43 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 124782733
• Molecular Formula: C27H26BrFN4O
• Molecular Weight: 521.43 g/mol
• Exact Mass: 520.13
• IUPAC Name: N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
• SMILES: O=C(NCc1ccc(Br)cc1)C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1
• InChI: InChI=1S/C27H26BrFN4O/c28-21-7-5-19(6-8-21)17-30-27(34)20-13-15-32(16-14-20)18-26-31-24-3-1-2-4-25(24)33(26)23-11-9-22(29)10-12-23/h1-12,20H,13-18H2,(H,30,34)
• InChIKey: UYJZISJKGUKEBB-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.43
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide (CID 124782733) is N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?

The canonical SMILES for N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide is O=C(NCc1ccc(Br)cc1)C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1.

What is the InChIKey of N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?

The InChIKey is UYJZISJKGUKEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrFN4O/c28-21-7-5-19(6-8-21)17-30-27(34)20-13-15-32(16-14-20)18-26-31-24-3-1-2-4-25(24)33(26)23-11-9-22(29)10-12-23/h1-12,20H,13-18H2,(H,30,34).

What are the key properties of N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?

N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 521.43 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 124782733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).