3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide

C₂₂H₂₂N₄O₂ — CID 55450942

About 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide

3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide (PubChem CID 55450942) has the molecular formula C₂₂H₂₂N₄O₂ and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide.

Molecular Properties

• Compound Name: 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide
• PubChem CID: 55450942
• Molecular Formula: C₂₂H₂₂N₄O₂
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.17
• IUPAC Name: 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide
• SMILES: CCCn1c(=O)n(CCC(=O)Nc2ccc3ccccc3n2)c2ccccc21
• InChI: InChI=1S/C22H22N4O2/c1-2-14-25-18-9-5-6-10-19(18)26(22(25)28)15-13-21(27)24-20-12-11-16-7-3-4-8-17(16)23-20/h3-12H,2,13-15H2,1H3,(H,23,24,27)
• InChIKey: LYCSPFPZSMWNDR-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 68.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide?

The IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide (CID 55450942) is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide.

What is the SMILES notation for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide?

The canonical SMILES for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide is CCCn1c(=O)n(CCC(=O)Nc2ccc3ccccc3n2)c2ccccc21.

What is the InChIKey of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide?

The InChIKey is LYCSPFPZSMWNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-2-14-25-18-9-5-6-10-19(18)26(22(25)28)15-13-21(27)24-20-12-11-16-7-3-4-8-17(16)23-20/h3-12H,2,13-15H2,1H3,(H,23,24,27).

What are the key properties of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide?

3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide has a molecular weight of 374.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide is sourced from PubChem (CID 55450942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 55450942 — identifiers, structure, computed properties (public domain)

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