2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C21H26N6O — CID 97269025

About 2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 97269025) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 97269025
• Molecular Formula: C21H26N6O
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.22
• IUPAC Name: 2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• SMILES: CCc1nccn1CC(=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1
• InChI: InChI=1S/C21H26N6O/c1-2-19-23-9-12-25(19)16-20(28)26-11-5-6-17(14-26)21-24-10-13-27(21)15-18-7-3-4-8-22-18/h3-4,7-10,12-13,17H,2,5-6,11,14-16H2,1H3/t17-/m0/s1
• InChIKey: NHNZHIFNQJOPKO-KRWDZBQOSA-N
• XLogP: 2.49
• TPSA: 68.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 97269025) is 2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is CCc1nccn1CC(=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1.

What is the InChIKey of 2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is NHNZHIFNQJOPKO-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N6O/c1-2-19-23-9-12-25(19)16-20(28)26-11-5-6-17(14-26)21-24-10-13-27(21)15-18-7-3-4-8-22-18/h3-4,7-10,12-13,17H,2,5-6,11,14-16H2,1H3/t17-/m0/s1.

What are the key properties of 2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 378.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97269025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).