2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide

C29H26ClN3O2 — CID 16986416

About 2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide

2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide (PubChem CID 16986416) has the molecular formula C29H26ClN3O2 and a molecular weight of 484.00 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide
• PubChem CID: 16986416
• Molecular Formula: C29H26ClN3O2
• Molecular Weight: 484.00 g/mol
• Exact Mass: 483.17
• IUPAC Name: 2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide
• SMILES: O=C(COc1ccc(Cl)cc1)NCCCc1nc2ccccc2n1Cc1ccc2ccccc2c1
• InChI: InChI=1S/C29H26ClN3O2/c30-24-13-15-25(16-14-24)35-20-29(34)31-17-5-10-28-32-26-8-3-4-9-27(26)33(28)19-21-11-12-22-6-1-2-7-23(22)18-21/h1-4,6-9,11-16,18H,5,10,17,19-20H2,(H,31,34)
• InChIKey: GENZNLKDJQAMNF-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.00
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide?

The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide (CID 16986416) is 2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide.

What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide?

The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCCc1nc2ccccc2n1Cc1ccc2ccccc2c1.

What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide?

The InChIKey is GENZNLKDJQAMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN3O2/c30-24-13-15-25(16-14-24)35-20-29(34)31-17-5-10-28-32-26-8-3-4-9-27(26)33(28)19-21-11-12-22-6-1-2-7-23(22)18-21/h1-4,6-9,11-16,18H,5,10,17,19-20H2,(H,31,34).

What are the key properties of 2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide?

2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide has a molecular weight of 484.00 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16986416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).