N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

C35H37N3O2 — CID 16979947

About N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16979947) has the molecular formula C35H37N3O2 and a molecular weight of 531.70 g/mol. Its IUPAC name is N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
• PubChem CID: 16979947
• Molecular Formula: C35H37N3O2
• Molecular Weight: 531.70 g/mol
• Exact Mass: 531.29
• IUPAC Name: N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
• SMILES: CC(C)(C)c1ccc(OCCn2c(CCNC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1
• InChI: InChI=1S/C35H37N3O2/c1-35(2,3)29-17-19-30(20-18-29)40-24-23-38-32-12-8-7-11-31(32)37-33(38)21-22-36-34(39)25-26-13-15-28(16-14-26)27-9-5-4-6-10-27/h4-20H,21-25H2,1-3H3,(H,36,39)
• InChIKey: GAVJHLXYGJKYOS-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.70
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?

The IUPAC name of N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (CID 16979947) is N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

What is the SMILES notation for N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?

The canonical SMILES for N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is CC(C)(C)c1ccc(OCCn2c(CCNC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1.

What is the InChIKey of N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?

The InChIKey is GAVJHLXYGJKYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O2/c1-35(2,3)29-17-19-30(20-18-29)40-24-23-38-32-12-8-7-11-31(32)37-33(38)21-22-36-34(39)25-26-13-15-28(16-14-26)27-9-5-4-6-10-27/h4-20H,21-25H2,1-3H3,(H,36,39).

What are the key properties of N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?

N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 531.70 g/mol, XLogP of 6.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16979947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).