[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone

C24H25FN6O — CID 42097087

About [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone

[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone (PubChem CID 42097087) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone.

Molecular Properties

• Compound Name: [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
• PubChem CID: 42097087
• Molecular Formula: C24H25FN6O
• Molecular Weight: 432.50 g/mol
• Exact Mass: 432.21
• IUPAC Name: [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
• SMILES: O=C(c1cn(CCCc2ccccc2)nn1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1
• InChI: InChI=1S/C24H25FN6O/c25-18-11-12-19-20(15-18)27-23(26-19)22-10-4-5-14-31(22)24(32)21-16-30(29-28-21)13-6-9-17-7-2-1-3-8-17/h1-3,7-8,11-12,15-16,22H,4-6,9-10,13-14H2,(H,26,27)/t22-/m0/s1
• InChIKey: OPGMAAKXJDEGRI-QFIPXVFZSA-N
• XLogP: 4.29
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.50
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone?

The IUPAC name of [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone (CID 42097087) is [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone.

What is the SMILES notation for [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone?

The canonical SMILES for [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone is O=C(c1cn(CCCc2ccccc2)nn1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1.

What is the InChIKey of [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone?

The InChIKey is OPGMAAKXJDEGRI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25FN6O/c25-18-11-12-19-20(15-18)27-23(26-19)22-10-4-5-14-31(22)24(32)21-16-30(29-28-21)13-6-9-17-7-2-1-3-8-17/h1-3,7-8,11-12,15-16,22H,4-6,9-10,13-14H2,(H,26,27)/t22-/m0/s1.

What are the key properties of [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone?

[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone has a molecular weight of 432.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone is sourced from PubChem (CID 42097087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).