(4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one

C26H33N3O3 — CID 40813376

About (4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one

(4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 40813376) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is (4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
• PubChem CID: 40813376
• Molecular Formula: C26H33N3O3
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.25
• IUPAC Name: (4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
• SMILES: COc1ccc(OCCCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1
• InChI: InChI=1S/C26H33N3O3/c1-26(2,3)29-18-19(17-24(29)30)25-27-22-9-5-6-10-23(22)28(25)15-7-8-16-32-21-13-11-20(31-4)12-14-21/h5-6,9-14,19H,7-8,15-18H2,1-4H3/t19-/m1/s1
• InChIKey: JYHFOWCZPYVLDE-LJQANCHMSA-N
• XLogP: 5.02
• TPSA: 56.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one?

The IUPAC name of (4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 40813376) is (4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one.

What is the SMILES notation for (4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one?

The canonical SMILES for (4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one is COc1ccc(OCCCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1.

What is the InChIKey of (4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one?

The InChIKey is JYHFOWCZPYVLDE-LJQANCHMSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-26(2,3)29-18-19(17-24(29)30)25-27-22-9-5-6-10-23(22)28(25)15-7-8-16-32-21-13-11-20(31-4)12-14-21/h5-6,9-14,19H,7-8,15-18H2,1-4H3/t19-/m1/s1.

What are the key properties of (4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one?

(4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 435.57 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 40813376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).