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

C32H38N4O — CID 20883060

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

1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 20883060) has the molecular formula C32H38N4O and a molecular weight of 494.68 g/mol. Its IUPAC name is 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
• PubChem CID: 20883060
• Molecular Formula: C32H38N4O
• Molecular Weight: 494.68 g/mol
• Exact Mass: 494.30
• IUPAC Name: 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
• SMILES: Cc1ccc(C)c(Cn2c(N3CCC(C(=O)NC(C)CCc4ccccc4)CC3)nc3ccccc32)c1
• InChI: InChI=1S/C32H38N4O/c1-23-13-14-24(2)28(21-23)22-36-30-12-8-7-11-29(30)34-32(36)35-19-17-27(18-20-35)31(37)33-25(3)15-16-26-9-5-4-6-10-26/h4-14,21,25,27H,15-20,22H2,1-3H3,(H,33,37)
• InChIKey: IAFIGXDSNYFJAD-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.68
LogP ≤ 5	6.06
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-(4-phenylbutan-2-yl)piperidine-4-carboxamide?

The IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide (CID 20883060) is 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide is Cc1ccc(C)c(Cn2c(N3CCC(C(=O)NC(C)CCc4ccccc4)CC3)nc3ccccc32)c1.

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

The InChIKey is IAFIGXDSNYFJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O/c1-23-13-14-24(2)28(21-23)22-36-30-12-8-7-11-29(30)34-32(36)35-19-17-27(18-20-35)31(37)33-25(3)15-16-26-9-5-4-6-10-26/h4-14,21,25,27H,15-20,22H2,1-3H3,(H,33,37).

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

1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 494.68 g/mol, XLogP of 6.06, 8 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-(4-phenylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20883060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).