2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide

C33H41N3O2 — CID 16989674

About 2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide

2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989674) has the molecular formula C33H41N3O2 and a molecular weight of 511.71 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
• PubChem CID: 16989674
• Molecular Formula: C33H41N3O2
• Molecular Weight: 511.71 g/mol
• Exact Mass: 511.32
• IUPAC Name: 2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
• SMILES: Cc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCOc2ccccc2C(C)C)c(C)c1
• InChI: InChI=1S/C33H41N3O2/c1-24(2)27-13-7-10-16-31(27)38-22-12-21-36-30-15-9-8-14-29(30)35-32(36)17-6-5-11-20-34-33(37)28-19-18-25(3)23-26(28)4/h7-10,13-16,18-19,23-24H,5-6,11-12,17,20-22H2,1-4H3,(H,34,37)
• InChIKey: QDCYTZGGWOOHRV-UHFFFAOYSA-N
• XLogP: 7.39
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.71
LogP ≤ 5	7.39
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-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?

The IUPAC name of 2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide (CID 16989674) is 2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide.

What is the SMILES notation for 2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?

The canonical SMILES for 2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide is Cc1ccc(C(=O)NCCCCCc2nc3ccccc3n2CCCOc2ccccc2C(C)C)c(C)c1.

What is the InChIKey of 2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?

The InChIKey is QDCYTZGGWOOHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O2/c1-24(2)27-13-7-10-16-31(27)38-22-12-21-36-30-15-9-8-14-29(30)35-32(36)17-6-5-11-20-34-33(37)28-19-18-25(3)23-26(28)4/h7-10,13-16,18-19,23-24H,5-6,11-12,17,20-22H2,1-4H3,(H,34,37).

What are the key properties of 2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?

2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 511.71 g/mol, XLogP of 7.39, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).