6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol

C25H34N6O — CID 153382781

About 6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol

6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol (PubChem CID 153382781) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol.

Molecular Properties

• Compound Name: 6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol
• PubChem CID: 153382781
• Molecular Formula: C25H34N6O
• Molecular Weight: 434.59 g/mol
• Exact Mass: 434.28
• IUPAC Name: 6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol
• SMILES: C=C/C(=C\c1nnn(C2CC(C)(C)NC(C)(C)C2)c1CC)c1cc2ncn(C)c2cc1O
• InChI: InChI=1S/C25H34N6O/c1-8-16(18-11-19-22(12-23(18)32)30(7)15-26-19)10-20-21(9-2)31(29-27-20)17-13-24(3,4)28-25(5,6)14-17/h8,10-12,15,17,28,32H,1,9,13-14H2,2-7H3/b16-10+
• InChIKey: JTLXJACGUQDVCH-MHWRWJLKSA-N
• XLogP: 4.64
• TPSA: 80.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.59
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol?

The IUPAC name of 6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol (CID 153382781) is 6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol.

What is the SMILES notation for 6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol?

The canonical SMILES for 6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol is C=C/C(=C\c1nnn(C2CC(C)(C)NC(C)(C)C2)c1CC)c1cc2ncn(C)c2cc1O.

What is the InChIKey of 6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol?

The InChIKey is JTLXJACGUQDVCH-MHWRWJLKSA-N. The full InChI is InChI=1S/C25H34N6O/c1-8-16(18-11-19-22(12-23(18)32)30(7)15-26-19)10-20-21(9-2)31(29-27-20)17-13-24(3,4)28-25(5,6)14-17/h8,10-12,15,17,28,32H,1,9,13-14H2,2-7H3/b16-10+.

What are the key properties of 6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol?

6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol has a molecular weight of 434.59 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1E)-1-[5-ethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]buta-1,3-dien-2-yl]-3-methylbenzimidazol-5-ol is sourced from PubChem (CID 153382781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).