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

C26H26ClN3O2 — CID 16967678

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

2-chloro-N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16967678) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-chloro-N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
• PubChem CID: 16967678
• Molecular Formula: C26H26ClN3O2
• Molecular Weight: 447.97 g/mol
• Exact Mass: 447.17
• IUPAC Name: 2-chloro-N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
• SMILES: Cc1cc(C)cc(OCCn2c(C(C)NC(=O)c3ccccc3Cl)nc3ccccc32)c1
• InChI: InChI=1S/C26H26ClN3O2/c1-17-14-18(2)16-20(15-17)32-13-12-30-24-11-7-6-10-23(24)29-25(30)19(3)28-26(31)21-8-4-5-9-22(21)27/h4-11,14-16,19H,12-13H2,1-3H3,(H,28,31)
• InChIKey: BWQXXGRXOAXLKK-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.97
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?

The IUPAC name of 2-chloro-N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16967678) is 2-chloro-N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.

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

The canonical SMILES for 2-chloro-N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is Cc1cc(C)cc(OCCn2c(C(C)NC(=O)c3ccccc3Cl)nc3ccccc32)c1.

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

The InChIKey is BWQXXGRXOAXLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-17-14-18(2)16-20(15-17)32-13-12-30-24-11-7-6-10-23(24)29-25(30)19(3)28-26(31)21-8-4-5-9-22(21)27/h4-11,14-16,19H,12-13H2,1-3H3,(H,28,31).

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

2-chloro-N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 447.97 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16967678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).