2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide

C21H26N4O3 — CID 91639261

About 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide

2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 91639261) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
• PubChem CID: 91639261
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
• SMILES: COc1cn(CC(=O)NCCc2nc3ccccc3n2C(C)C)c(C)cc1=O
• InChI: InChI=1S/C21H26N4O3/c1-14(2)25-17-8-6-5-7-16(17)23-20(25)9-10-22-21(27)13-24-12-19(28-4)18(26)11-15(24)3/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,22,27)
• InChIKey: SUKWTVNEDYDAQQ-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?

The IUPAC name of 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide (CID 91639261) is 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide.

What is the SMILES notation for 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?

The canonical SMILES for 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide is COc1cn(CC(=O)NCCc2nc3ccccc3n2C(C)C)c(C)cc1=O.

What is the InChIKey of 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?

The InChIKey is SUKWTVNEDYDAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14(2)25-17-8-6-5-7-16(17)23-20(25)9-10-22-21(27)13-24-12-19(28-4)18(26)11-15(24)3/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,22,27).

What are the key properties of 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?

2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 91639261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).