N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

C33H33N3O2 — CID 16971603

About N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16971603) has the molecular formula C33H33N3O2 and a molecular weight of 503.65 g/mol. Its IUPAC name is N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
• PubChem CID: 16971603
• Molecular Formula: C33H33N3O2
• Molecular Weight: 503.65 g/mol
• Exact Mass: 503.26
• IUPAC Name: N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
• SMILES: Cc1cccc(OCCn2c(C(C)NC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)c1C
• InChI: InChI=1S/C33H33N3O2/c1-23-10-9-15-31(24(23)2)38-21-20-36-30-14-8-7-13-29(30)35-33(36)25(3)34-32(37)22-26-16-18-28(19-17-26)27-11-5-4-6-12-27/h4-19,25H,20-22H2,1-3H3,(H,34,37)
• InChIKey: CLGGDMHHZISZBO-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.65
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?

The IUPAC name of N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (CID 16971603) is N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

What is the SMILES notation for N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?

The canonical SMILES for N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is Cc1cccc(OCCn2c(C(C)NC(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)c1C.

What is the InChIKey of N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?

The InChIKey is CLGGDMHHZISZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O2/c1-23-10-9-15-31(24(23)2)38-21-20-36-30-14-8-7-13-29(30)35-33(36)25(3)34-32(37)22-26-16-18-28(19-17-26)27-11-5-4-6-12-27/h4-19,25H,20-22H2,1-3H3,(H,34,37).

What are the key properties of N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?

N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 503.65 g/mol, XLogP of 6.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16971603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).