3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one

C19H26N6O — CID 167883650

About 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one

3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one (PubChem CID 167883650) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one.

Molecular Properties

• Compound Name: 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one
• PubChem CID: 167883650
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one
• SMILES: Cn1cnnc1CC1CCN(CCCn2c(=O)[nH]c3ccccc32)CC1
• InChI: InChI=1S/C19H26N6O/c1-23-14-20-22-18(23)13-15-7-11-24(12-8-15)9-4-10-25-17-6-3-2-5-16(17)21-19(25)26/h2-3,5-6,14-15H,4,7-13H2,1H3,(H,21,26)
• InChIKey: AZEUOCMFPGQAJF-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 71.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one?

The IUPAC name of 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one (CID 167883650) is 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one.

What is the SMILES notation for 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one?

The canonical SMILES for 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one is Cn1cnnc1CC1CCN(CCCn2c(=O)[nH]c3ccccc32)CC1.

What is the InChIKey of 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one?

The InChIKey is AZEUOCMFPGQAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-23-14-20-22-18(23)13-15-7-11-24(12-8-15)9-4-10-25-17-6-3-2-5-16(17)21-19(25)26/h2-3,5-6,14-15H,4,7-13H2,1H3,(H,21,26).

What are the key properties of 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one?

3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one has a molecular weight of 354.46 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 167883650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).