2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide

C26H28N4O — CID 155172384

About 2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide

2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide (PubChem CID 155172384) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide.

Molecular Properties

• Compound Name: 2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide
• PubChem CID: 155172384
• Molecular Formula: C26H28N4O
• Molecular Weight: 412.54 g/mol
• Exact Mass: 412.23
• IUPAC Name: 2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide
• SMILES: CNc1ccccc1C(=O)NCCCCCc1ncc(-c2ccc3ccccc3c2)[nH]1
• InChI: InChI=1S/C26H28N4O/c1-27-23-12-7-6-11-22(23)26(31)28-16-8-2-3-13-25-29-18-24(30-25)21-15-14-19-9-4-5-10-20(19)17-21/h4-7,9-12,14-15,17-18,27H,2-3,8,13,16H2,1H3,(H,28,31)(H,29,30)
• InChIKey: FQFYNTYIMNVSSB-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 69.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.54
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide?

The IUPAC name of 2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide (CID 155172384) is 2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide.

What is the SMILES notation for 2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide?

The canonical SMILES for 2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide is CNc1ccccc1C(=O)NCCCCCc1ncc(-c2ccc3ccccc3c2)[nH]1.

What is the InChIKey of 2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide?

The InChIKey is FQFYNTYIMNVSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-27-23-12-7-6-11-22(23)26(31)28-16-8-2-3-13-25-29-18-24(30-25)21-15-14-19-9-4-5-10-20(19)17-21/h4-7,9-12,14-15,17-18,27H,2-3,8,13,16H2,1H3,(H,28,31)(H,29,30).

What are the key properties of 2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide?

2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide has a molecular weight of 412.54 g/mol, XLogP of 5.41, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide is sourced from PubChem (CID 155172384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).