2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide

C29H26ClN3O2 — CID 16982739

About 2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide

2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide (PubChem CID 16982739) has the molecular formula C29H26ClN3O2 and a molecular weight of 484.00 g/mol. Its IUPAC name is 2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide
• PubChem CID: 16982739
• Molecular Formula: C29H26ClN3O2
• Molecular Weight: 484.00 g/mol
• Exact Mass: 483.17
• IUPAC Name: 2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide
• SMILES: O=C(NCCCc1nc2ccccc2n1CCOc1cccc2ccccc12)c1ccccc1Cl
• InChI: InChI=1S/C29H26ClN3O2/c30-24-13-4-3-12-23(24)29(34)31-18-8-17-28-32-25-14-5-6-15-26(25)33(28)19-20-35-27-16-7-10-21-9-1-2-11-22(21)27/h1-7,9-16H,8,17-20H2,(H,31,34)
• InChIKey: YPRPGVZLWLUADR-UHFFFAOYSA-N
• XLogP: 6.28
• 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	6.28
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-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide?

The IUPAC name of 2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide (CID 16982739) is 2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide.

What is the SMILES notation for 2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide?

The canonical SMILES for 2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide is O=C(NCCCc1nc2ccccc2n1CCOc1cccc2ccccc12)c1ccccc1Cl.

What is the InChIKey of 2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide?

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

What are the key properties of 2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide?

2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide has a molecular weight of 484.00 g/mol, XLogP of 6.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16982739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).