2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide

C27H31N3O2 — CID 16981462

About 2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide

2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide (PubChem CID 16981462) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide
• PubChem CID: 16981462
• Molecular Formula: C27H31N3O2
• Molecular Weight: 429.56 g/mol
• Exact Mass: 429.24
• IUPAC Name: 2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide
• SMILES: CC(C)(C)C(=O)NCCCc1nc2ccccc2n1CCOc1cccc2ccccc12
• InChI: InChI=1S/C27H31N3O2/c1-27(2,3)26(31)28-17-9-16-25-29-22-13-6-7-14-23(22)30(25)18-19-32-24-15-8-11-20-10-4-5-12-21(20)24/h4-8,10-15H,9,16-19H2,1-3H3,(H,28,31)
• InChIKey: NJRXZQOMVXHIRN-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.56
LogP ≤ 5	5.36
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 2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide (CID 16981462) is 2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide.

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

The canonical SMILES for 2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide is CC(C)(C)C(=O)NCCCc1nc2ccccc2n1CCOc1cccc2ccccc12.

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

The InChIKey is NJRXZQOMVXHIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-27(2,3)26(31)28-17-9-16-25-29-22-13-6-7-14-23(22)30(25)18-19-32-24-15-8-11-20-10-4-5-12-21(20)24/h4-8,10-15H,9,16-19H2,1-3H3,(H,28,31).

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

2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide has a molecular weight of 429.56 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide is sourced from PubChem (CID 16981462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).