2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide

C29H32ClN3O2 — CID 16976138

About 2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide

2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16976138) has the molecular formula C29H32ClN3O2 and a molecular weight of 490.05 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
• PubChem CID: 16976138
• Molecular Formula: C29H32ClN3O2
• Molecular Weight: 490.05 g/mol
• Exact Mass: 489.22
• IUPAC Name: 2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
• SMILES: CC(C)c1ccccc1OCCCCn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21
• InChI: InChI=1S/C29H32ClN3O2/c1-21(2)22-11-4-8-16-27(22)35-20-10-9-19-33-26-15-7-6-14-25(26)32-28(33)17-18-31-29(34)23-12-3-5-13-24(23)30/h3-8,11-16,21H,9-10,17-20H2,1-2H3,(H,31,34)
• InChIKey: LFQKIZLSTSCBHM-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.05
LogP ≤ 5	6.64
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-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?

The IUPAC name of 2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide (CID 16976138) is 2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide.

What is the SMILES notation for 2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?

The canonical SMILES for 2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide is CC(C)c1ccccc1OCCCCn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21.

What is the InChIKey of 2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?

The InChIKey is LFQKIZLSTSCBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN3O2/c1-21(2)22-11-4-8-16-27(22)35-20-10-9-19-33-26-15-7-6-14-25(26)32-28(33)17-18-31-29(34)23-12-3-5-13-24(23)30/h3-8,11-16,21H,9-10,17-20H2,1-2H3,(H,31,34).

What are the key properties of 2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide?

2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 490.05 g/mol, XLogP of 6.64, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16976138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).