[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone

C21H20N6O — CID 38372032

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 38372032) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
• PubChem CID: 38372032
• Molecular Formula: C21H20N6O
• Molecular Weight: 372.43 g/mol
• Exact Mass: 372.17
• IUPAC Name: [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
• SMILES: O=C(c1ccc(-n2cncn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
• InChI: InChI=1S/C21H20N6O/c28-21(16-5-7-17(8-6-16)27-14-22-13-23-27)26-11-9-15(10-12-26)20-24-18-3-1-2-4-19(18)25-20/h1-8,13-15H,9-12H2,(H,24,25)
• InChIKey: NLEHYXDSJINWRU-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.43
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?

The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone (CID 38372032) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone.

What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?

The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone is O=C(c1ccc(-n2cncn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.

What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?

The InChIKey is NLEHYXDSJINWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21(16-5-7-17(8-6-16)27-14-22-13-23-27)26-11-9-15(10-12-26)20-24-18-3-1-2-4-19(18)25-20/h1-8,13-15H,9-12H2,(H,24,25).

What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone has a molecular weight of 372.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 38372032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).