3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide

C26H26N4OS — CID 23804159

About 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide

3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 23804159) has the molecular formula C26H26N4OS and a molecular weight of 442.59 g/mol. Its IUPAC name is 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
• PubChem CID: 23804159
• Molecular Formula: C26H26N4OS
• Molecular Weight: 442.59 g/mol
• Exact Mass: 442.18
• IUPAC Name: 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
• SMILES: Cc1ccc(-c2nc(SCCC(=O)Nc3cccc(C)n3)[nH]c2-c2ccc(C)cc2)cc1
• InChI: InChI=1S/C26H26N4OS/c1-17-7-11-20(12-8-17)24-25(21-13-9-18(2)10-14-21)30-26(29-24)32-16-15-23(31)28-22-6-4-5-19(3)27-22/h4-14H,15-16H2,1-3H3,(H,29,30)(H,27,28,31)
• InChIKey: TTZWQUDJCNGSST-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.59
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?

The IUPAC name of 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide (CID 23804159) is 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide.

What is the SMILES notation for 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?

The canonical SMILES for 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide is Cc1ccc(-c2nc(SCCC(=O)Nc3cccc(C)n3)[nH]c2-c2ccc(C)cc2)cc1.

What is the InChIKey of 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?

The InChIKey is TTZWQUDJCNGSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4OS/c1-17-7-11-20(12-8-17)24-25(21-13-9-18(2)10-14-21)30-26(29-24)32-16-15-23(31)28-22-6-4-5-19(3)27-22/h4-14H,15-16H2,1-3H3,(H,29,30)(H,27,28,31).

What are the key properties of 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?

3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 442.59 g/mol, XLogP of 6.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 23804159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).