[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone

C31H26N6O — CID 172852384

About [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone

[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone (PubChem CID 172852384) has the molecular formula C31H26N6O and a molecular weight of 498.59 g/mol. Its IUPAC name is [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone.

Molecular Properties

• Compound Name: [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone
• PubChem CID: 172852384
• Molecular Formula: C31H26N6O
• Molecular Weight: 498.59 g/mol
• Exact Mass: 498.22
• IUPAC Name: [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone
• SMILES: O=C(c1cccc(-c2nc3ccccc3[nH]2)n1)C1CCN(c2cccc(-c3cn4ccccc4n3)c2)CC1
• InChI: InChI=1S/C31H26N6O/c38-30(26-11-6-12-27(32-26)31-34-24-9-1-2-10-25(24)35-31)21-14-17-36(18-15-21)23-8-5-7-22(19-23)28-20-37-16-4-3-13-29(37)33-28/h1-13,16,19-21H,14-15,17-18H2,(H,34,35)
• InChIKey: YFXJLCIEWHANKO-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.59
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone?

The IUPAC name of [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone (CID 172852384) is [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone.

What is the SMILES notation for [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone?

The canonical SMILES for [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone is O=C(c1cccc(-c2nc3ccccc3[nH]2)n1)C1CCN(c2cccc(-c3cn4ccccc4n3)c2)CC1.

What is the InChIKey of [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone?

The InChIKey is YFXJLCIEWHANKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N6O/c38-30(26-11-6-12-27(32-26)31-34-24-9-1-2-10-25(24)35-31)21-14-17-36(18-15-21)23-8-5-7-22(19-23)28-20-37-16-4-3-13-29(37)33-28/h1-13,16,19-21H,14-15,17-18H2,(H,34,35).

What are the key properties of [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone?

[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone has a molecular weight of 498.59 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)piperidin-4-yl]methanone is sourced from PubChem (CID 172852384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).