3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide

C32H33N3O3 — CID 16990931

About 3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide

3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16990931) has the molecular formula C32H33N3O3 and a molecular weight of 507.63 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
• PubChem CID: 16990931
• Molecular Formula: C32H33N3O3
• Molecular Weight: 507.63 g/mol
• Exact Mass: 507.25
• IUPAC Name: 3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
• SMILES: COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1OC
• InChI: InChI=1S/C32H33N3O3/c1-37-29-18-17-26(21-30(29)38-2)32(36)33-19-9-3-4-14-31-34-27-12-7-8-13-28(27)35(31)22-23-15-16-24-10-5-6-11-25(24)20-23/h5-8,10-13,15-18,20-21H,3-4,9,14,19,22H2,1-2H3,(H,33,36)
• InChIKey: SEPPIRVJQOVVJV-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.63
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide?

The IUPAC name of 3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide (CID 16990931) is 3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide.

What is the SMILES notation for 3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide?

The canonical SMILES for 3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide is COc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1OC.

What is the InChIKey of 3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide?

The InChIKey is SEPPIRVJQOVVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O3/c1-37-29-18-17-26(21-30(29)38-2)32(36)33-19-9-3-4-14-31-34-27-12-7-8-13-28(27)35(31)22-23-15-16-24-10-5-6-11-25(24)20-23/h5-8,10-13,15-18,20-21H,3-4,9,14,19,22H2,1-2H3,(H,33,36).

What are the key properties of 3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide?

3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 507.63 g/mol, XLogP of 6.40, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16990931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).