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

C31H37N3O2 — CID 16989680

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

2,4-dimethyl-N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989680) has the molecular formula C31H37N3O2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
• PubChem CID: 16989680
• Molecular Formula: C31H37N3O2
• Molecular Weight: 483.66 g/mol
• Exact Mass: 483.29
• IUPAC Name: 2,4-dimethyl-N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
• SMILES: Cc1cccc(OCCCn2c(CCCCCNC(=O)c3ccc(C)cc3C)nc3ccccc32)c1
• InChI: InChI=1S/C31H37N3O2/c1-23-11-9-12-26(22-23)36-20-10-19-34-29-14-7-6-13-28(29)33-30(34)15-5-4-8-18-32-31(35)27-17-16-24(2)21-25(27)3/h6-7,9,11-14,16-17,21-22H,4-5,8,10,15,18-20H2,1-3H3,(H,32,35)
• InChIKey: XAOSMZLORQXUSD-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.66
LogP ≤ 5	6.57
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-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?

The IUPAC name of 2,4-dimethyl-N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide (CID 16989680) is 2,4-dimethyl-N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide.

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

The canonical SMILES for 2,4-dimethyl-N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide is Cc1cccc(OCCCn2c(CCCCCNC(=O)c3ccc(C)cc3C)nc3ccccc32)c1.

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

The InChIKey is XAOSMZLORQXUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O2/c1-23-11-9-12-26(22-23)36-20-10-19-34-29-14-7-6-13-28(29)33-30(34)15-5-4-8-18-32-31(35)27-17-16-24(2)21-25(27)3/h6-7,9,11-14,16-17,21-22H,4-5,8,10,15,18-20H2,1-3H3,(H,32,35).

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

2,4-dimethyl-N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 483.66 g/mol, XLogP of 6.57, 12 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-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).