5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide

C24H32N4OS3 — CID 22592096

About 5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide

5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide (PubChem CID 22592096) has the molecular formula C24H32N4OS3 and a molecular weight of 488.75 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide.

Molecular Properties

• Compound Name: 5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide
• PubChem CID: 22592096
• Molecular Formula: C24H32N4OS3
• Molecular Weight: 488.75 g/mol
• Exact Mass: 488.17
• IUPAC Name: 5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide
• SMILES: Cc1cc(SC(C)C)c(NC(=O)CCCCSc2nc3ccccc3[nH]2)c(SC(C)C)n1
• InChI: InChI=1S/C24H32N4OS3/c1-15(2)31-20-14-17(5)25-23(32-16(3)4)22(20)28-21(29)12-8-9-13-30-24-26-18-10-6-7-11-19(18)27-24/h6-7,10-11,14-16H,8-9,12-13H2,1-5H3,(H,26,27)(H,28,29)
• InChIKey: GSMJYAOLAYNYHS-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.75
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide?

The IUPAC name of 5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide (CID 22592096) is 5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide.

What is the SMILES notation for 5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide?

The canonical SMILES for 5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide is Cc1cc(SC(C)C)c(NC(=O)CCCCSc2nc3ccccc3[nH]2)c(SC(C)C)n1.

What is the InChIKey of 5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide?

The InChIKey is GSMJYAOLAYNYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4OS3/c1-15(2)31-20-14-17(5)25-23(32-16(3)4)22(20)28-21(29)12-8-9-13-30-24-26-18-10-6-7-11-19(18)27-24/h6-7,10-11,14-16H,8-9,12-13H2,1-5H3,(H,26,27)(H,28,29).

What are the key properties of 5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide?

5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide has a molecular weight of 488.75 g/mol, XLogP of 7.17, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(propan-2-ylsulfanyl)-3-pyridinyl]pentanamide is sourced from PubChem (CID 22592096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).