2-chloro-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide

C30H34ClN3O2 — CID 16989844

About 2-chloro-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide

2-chloro-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989844) has the molecular formula C30H34ClN3O2 and a molecular weight of 504.07 g/mol. Its IUPAC name is 2-chloro-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
• PubChem CID: 16989844
• Molecular Formula: C30H34ClN3O2
• Molecular Weight: 504.07 g/mol
• Exact Mass: 503.23
• IUPAC Name: 2-chloro-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
• SMILES: Cc1cc(C)cc(OCCCn2c(CCCCCNC(=O)c3ccccc3Cl)nc3ccccc32)c1
• InChI: InChI=1S/C30H34ClN3O2/c1-22-19-23(2)21-24(20-22)36-18-10-17-34-28-14-8-7-13-27(28)33-29(34)15-4-3-9-16-32-30(35)25-11-5-6-12-26(25)31/h5-8,11-14,19-21H,3-4,9-10,15-18H2,1-2H3,(H,32,35)
• InChIKey: MNEFNGGKZAARMV-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.07
LogP ≤ 5	6.92
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-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide?

The IUPAC name of 2-chloro-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide (CID 16989844) is 2-chloro-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide.

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

The canonical SMILES for 2-chloro-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide is Cc1cc(C)cc(OCCCn2c(CCCCCNC(=O)c3ccccc3Cl)nc3ccccc32)c1.

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

The InChIKey is MNEFNGGKZAARMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O2/c1-22-19-23(2)21-24(20-22)36-18-10-17-34-28-14-8-7-13-27(28)33-29(34)15-4-3-9-16-32-30(35)25-11-5-6-12-26(25)31/h5-8,11-14,19-21H,3-4,9-10,15-18H2,1-2H3,(H,32,35).

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

2-chloro-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 504.07 g/mol, XLogP of 6.92, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).