N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide

C29H30N8O2 — CID 118453184

About N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide

N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 118453184) has the molecular formula C29H30N8O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide
• PubChem CID: 118453184
• Molecular Formula: C29H30N8O2
• Molecular Weight: 522.61 g/mol
• Exact Mass: 522.25
• IUPAC Name: N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide
• SMILES: CNC(=O)CCCCCC(NC(=O)c1ccc(-n2cnnn2)cc1)c1ncc(-c2ccc3ccccc3c2)[nH]1
• InChI: InChI=1S/C29H30N8O2/c1-30-27(38)10-4-2-3-9-25(34-29(39)21-13-15-24(16-14-21)37-19-32-35-36-37)28-31-18-26(33-28)23-12-11-20-7-5-6-8-22(20)17-23/h5-8,11-19,25H,2-4,9-10H2,1H3,(H,30,38)(H,31,33)(H,34,39)
• InChIKey: NLANOOJOHIYDCX-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 130.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.61
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide?

The IUPAC name of N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide (CID 118453184) is N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide.

What is the SMILES notation for N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide?

The canonical SMILES for N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide is CNC(=O)CCCCCC(NC(=O)c1ccc(-n2cnnn2)cc1)c1ncc(-c2ccc3ccccc3c2)[nH]1.

What is the InChIKey of N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide?

The InChIKey is NLANOOJOHIYDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O2/c1-30-27(38)10-4-2-3-9-25(34-29(39)21-13-15-24(16-14-21)37-19-32-35-36-37)28-31-18-26(33-28)23-12-11-20-7-5-6-8-22(20)17-23/h5-8,11-19,25H,2-4,9-10H2,1H3,(H,30,38)(H,31,33)(H,34,39).

What are the key properties of N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide?

N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 522.61 g/mol, XLogP of 4.37, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 118453184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).