7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C20H23N7 — CID 133445499

About 7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133445499) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 133445499
• Molecular Formula: C20H23N7
• Molecular Weight: 361.45 g/mol
• Exact Mass: 361.20
• IUPAC Name: 7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: CCc1nc2ccccc2n1C1CCN(c2cc(C)nc3ncnn23)CC1
• InChI: InChI=1S/C20H23N7/c1-3-18-24-16-6-4-5-7-17(16)26(18)15-8-10-25(11-9-15)19-12-14(2)23-20-21-13-22-27(19)20/h4-7,12-13,15H,3,8-11H2,1-2H3
• InChIKey: RGGRTAYZYUBVIE-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 64.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.45
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?

The IUPAC name of 7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133445499) is 7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

What is the SMILES notation for 7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?

The canonical SMILES for 7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1nc2ccccc2n1C1CCN(c2cc(C)nc3ncnn23)CC1.

What is the InChIKey of 7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?

The InChIKey is RGGRTAYZYUBVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-3-18-24-16-6-4-5-7-17(16)26(18)15-8-10-25(11-9-15)19-12-14(2)23-20-21-13-22-27(19)20/h4-7,12-13,15H,3,8-11H2,1-2H3.

What are the key properties of 7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?

7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 361.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133445499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).