2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide

C₂₄H₂₈ClN₃O₃ — CID 141449861

About 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide

2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide (PubChem CID 141449861) has the molecular formula C₂₄H₂₈ClN₃O₃ and a molecular weight of 441.96 g/mol. Its IUPAC name is 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
• PubChem CID: 141449861
• Molecular Formula: C₂₄H₂₈ClN₃O₃
• Molecular Weight: 441.96 g/mol
• Exact Mass: 441.18
• IUPAC Name: 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
• SMILES: CNC(=O)C(Cl)(C1CCCCC1)n1c(-c2ccc(OC)cc2OC)nc2ccccc21
• InChI: InChI=1S/C24H28ClN3O3/c1-26-23(29)24(25,16-9-5-4-6-10-16)28-20-12-8-7-11-19(20)27-22(28)18-14-13-17(30-2)15-21(18)31-3/h7-8,11-16H,4-6,9-10H2,1-3H3,(H,26,29)
• InChIKey: CGKAFEPRDMGHSJ-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.96
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?

The IUPAC name of 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide (CID 141449861) is 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide.

What is the SMILES notation for 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?

The canonical SMILES for 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide is CNC(=O)C(Cl)(C1CCCCC1)n1c(-c2ccc(OC)cc2OC)nc2ccccc21.

What is the InChIKey of 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?

The InChIKey is CGKAFEPRDMGHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-26-23(29)24(25,16-9-5-4-6-10-16)28-20-12-8-7-11-19(20)27-22(28)18-14-13-17(30-2)15-21(18)31-3/h7-8,11-16H,4-6,9-10H2,1-3H3,(H,26,29).

What are the key properties of 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?

2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 441.96 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 141449861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141449861 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.