[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone

C30H23N7O3 — CID 121298742

About [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone

[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 121298742) has the molecular formula C30H23N7O3 and a molecular weight of 529.56 g/mol. Its IUPAC name is [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone
• PubChem CID: 121298742
• Molecular Formula: C30H23N7O3
• Molecular Weight: 529.56 g/mol
• Exact Mass: 529.19
• IUPAC Name: [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone
• SMILES: O=C(c1cccc(-c2nc3ccccc3[nH]2)n1)N1CCN(C(=O)c2cccc(-c3nc4ccccc4o3)n2)CC1
• InChI: InChI=1S/C30H23N7O3/c38-29(24-12-5-10-22(31-24)27-33-19-7-1-2-8-20(19)34-27)36-15-17-37(18-16-36)30(39)25-13-6-11-23(32-25)28-35-21-9-3-4-14-26(21)40-28/h1-14H,15-18H2,(H,33,34)
• InChIKey: LUPZNQBUHBQCLJ-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 121.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.56
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone?

The IUPAC name of [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone (CID 121298742) is [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone.

What is the SMILES notation for [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone?

The canonical SMILES for [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone is O=C(c1cccc(-c2nc3ccccc3[nH]2)n1)N1CCN(C(=O)c2cccc(-c3nc4ccccc4o3)n2)CC1.

What is the InChIKey of [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone?

The InChIKey is LUPZNQBUHBQCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N7O3/c38-29(24-12-5-10-22(31-24)27-33-19-7-1-2-8-20(19)34-27)36-15-17-37(18-16-36)30(39)25-13-6-11-23(32-25)28-35-21-9-3-4-14-26(21)40-28/h1-14H,15-18H2,(H,33,34).

What are the key properties of [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone?

[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 529.56 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(1H-benzimidazol-2-yl)-2-pyridinyl]-[4-[6-(1,3-benzoxazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 121298742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).