1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide

C29H31FN4O — CID 20883075

About 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide

1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 20883075) has the molecular formula C29H31FN4O and a molecular weight of 470.59 g/mol. Its IUPAC name is 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
• PubChem CID: 20883075
• Molecular Formula: C29H31FN4O
• Molecular Weight: 470.59 g/mol
• Exact Mass: 470.25
• IUPAC Name: 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
• SMILES: Cc1ccc(C)c(Cn2c(N3CCC(C(=O)NCc4cccc(F)c4)CC3)nc3ccccc32)c1
• InChI: InChI=1S/C29H31FN4O/c1-20-10-11-21(2)24(16-20)19-34-27-9-4-3-8-26(27)32-29(34)33-14-12-23(13-15-33)28(35)31-18-22-6-5-7-25(30)17-22/h3-11,16-17,23H,12-15,18-19H2,1-2H3,(H,31,35)
• InChIKey: WEKDGPIZBJQGKH-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.59
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide?

The IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide (CID 20883075) is 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide is Cc1ccc(C)c(Cn2c(N3CCC(C(=O)NCc4cccc(F)c4)CC3)nc3ccccc32)c1.

What is the InChIKey of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide?

The InChIKey is WEKDGPIZBJQGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O/c1-20-10-11-21(2)24(16-20)19-34-27-9-4-3-8-26(27)32-29(34)33-14-12-23(13-15-33)28(35)31-18-22-6-5-7-25(30)17-22/h3-11,16-17,23H,12-15,18-19H2,1-2H3,(H,31,35).

What are the key properties of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide?

1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 470.59 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20883075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).