1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone

C28H24N6O2 — CID 23145202

About 1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone

1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone (PubChem CID 23145202) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 23145202
• Molecular Formula: C28H24N6O2
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.20
• IUPAC Name: 1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
• SMILES: CC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(-c2cnccn2)cc1
• InChI: InChI=1S/C28H24N6O2/c1-18(35)34-14-4-6-26(34)21-15-23-24(33-28(32-23)22-5-2-3-11-30-22)16-27(21)36-20-9-7-19(8-10-20)25-17-29-12-13-31-25/h2-3,5,7-13,15-17,26H,4,6,14H2,1H3,(H,32,33)
• InChIKey: CELXZVGIOMSYNF-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 96.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone (CID 23145202) is 1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(-c2cnccn2)cc1.

What is the InChIKey of 1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?

The InChIKey is CELXZVGIOMSYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-18(35)34-14-4-6-26(34)21-15-23-24(33-28(32-23)22-5-2-3-11-30-22)16-27(21)36-20-9-7-19(8-10-20)25-17-29-12-13-31-25/h2-3,5,7-13,15-17,26H,4,6,14H2,1H3,(H,32,33).

What are the key properties of 1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone?

1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 476.54 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[6-(4-pyrazin-2-ylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 23145202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).