1-[2-[6-[4-(1,3-oxazol-4-yl)phenoxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone

C27H23N5O3 — CID 23145517

About 1-[2-[6-[4-(1,3-oxazol-4-yl)phenoxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone

1-[2-[6-[4-(1,3-oxazol-4-yl)phenoxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone (PubChem CID 23145517) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is 1-[2-[6-[4-(1,3-oxazol-4-yl)phenoxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[6-[4-(1,3-oxazol-4-yl)phenoxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 23145517
• Molecular Formula: C27H23N5O3
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.18
• IUPAC Name: 1-[2-[6-[4-(1,3-oxazol-4-yl)phenoxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
• SMILES: CC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(-c2cocn2)cc1
• InChI: InChI=1S/C27H23N5O3/c1-17(33)32-12-4-6-25(32)20-13-22-23(31-27(30-22)21-5-2-3-11-28-21)14-26(20)35-19-9-7-18(8-10-19)24-15-34-16-29-24/h2-3,5,7-11,13-16,25H,4,6,12H2,1H3,(H,30,31)
• InChIKey: OHWDXJBSFIWNMU-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 97.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-[6-[4-(1,3-oxazol-4-yl)phenoxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone (CID 23145517) is 1-[2-[6-[4-(1,3-oxazol-4-yl)phenoxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone.

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

The canonical SMILES for 1-[2-[6-[4-(1,3-oxazol-4-yl)phenoxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(-c2cocn2)cc1.

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

The InChIKey is OHWDXJBSFIWNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c1-17(33)32-12-4-6-25(32)20-13-22-23(31-27(30-22)21-5-2-3-11-28-21)14-26(20)35-19-9-7-18(8-10-19)24-15-34-16-29-24/h2-3,5,7-11,13-16,25H,4,6,12H2,1H3,(H,30,31).

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

1-[2-[6-[4-(1,3-oxazol-4-yl)phenoxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 465.51 g/mol, XLogP of 5.76, 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-(1,3-oxazol-4-yl)phenoxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 23145517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).