5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine

C30H35N3S — CID 10389955

About 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine

5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine (PubChem CID 10389955) has the molecular formula C30H35N3S and a molecular weight of 469.70 g/mol. Its IUPAC name is 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine.

Molecular Properties

• Compound Name: 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine
• PubChem CID: 10389955
• Molecular Formula: C30H35N3S
• Molecular Weight: 469.70 g/mol
• Exact Mass: 469.26
• IUPAC Name: 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine
• SMILES: c1ccc(CCCCNCCCCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
• InChI: InChI=1S/C30H35N3S/c1-5-15-25(16-6-1)17-11-13-23-31-22-12-4-14-24-34-30-32-28(26-18-7-2-8-19-26)29(33-30)27-20-9-3-10-21-27/h1-3,5-10,15-16,18-21,31H,4,11-14,17,22-24H2,(H,32,33)
• InChIKey: OBLYGHVSELPYGW-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 40.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.70
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	2
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 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine?

The IUPAC name of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine (CID 10389955) is 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine.

What is the SMILES notation for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine?

The canonical SMILES for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine is c1ccc(CCCCNCCCCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.

What is the InChIKey of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine?

The InChIKey is OBLYGHVSELPYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3S/c1-5-15-25(16-6-1)17-11-13-23-31-22-12-4-14-24-34-30-32-28(26-18-7-2-8-19-26)29(33-30)27-20-9-3-10-21-27/h1-3,5-10,15-16,18-21,31H,4,11-14,17,22-24H2,(H,32,33).

What are the key properties of 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine?

5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine has a molecular weight of 469.70 g/mol, XLogP of 7.62, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine is sourced from PubChem (CID 10389955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).