5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one

C24H30N6O3 — CID 155272885

About 5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one

5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one (PubChem CID 155272885) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one.

Molecular Properties

• Compound Name: 5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one
• PubChem CID: 155272885
• Molecular Formula: C24H30N6O3
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.24
• IUPAC Name: 5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one
• SMILES: CCc1cc2c(cc1-c1cc(OC)c3ncnn3c1)[nH]c(=O)n2C1CCCN(CCOC)C1
• InChI: InChI=1S/C24H30N6O3/c1-4-16-10-21-20(12-19(16)17-11-22(33-3)23-25-15-26-29(23)13-17)27-24(31)30(21)18-6-5-7-28(14-18)8-9-32-2/h10-13,15,18H,4-9,14H2,1-3H3,(H,27,31)
• InChIKey: SFCWMJXFWUGWRT-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 89.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one?

The IUPAC name of 5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one (CID 155272885) is 5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one.

What is the SMILES notation for 5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one?

The canonical SMILES for 5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one is CCc1cc2c(cc1-c1cc(OC)c3ncnn3c1)[nH]c(=O)n2C1CCCN(CCOC)C1.

What is the InChIKey of 5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one?

The InChIKey is SFCWMJXFWUGWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-4-16-10-21-20(12-19(16)17-11-22(33-3)23-25-15-26-29(23)13-17)27-24(31)30(21)18-6-5-7-28(14-18)8-9-32-2/h10-13,15,18H,4-9,14H2,1-3H3,(H,27,31).

What are the key properties of 5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one?

5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one has a molecular weight of 450.54 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 155272885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).