4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide

C36H39N5O2 — CID 11664203

About 4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide

4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide (PubChem CID 11664203) has the molecular formula C36H39N5O2 and a molecular weight of 573.74 g/mol. Its IUPAC name is 4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide
• PubChem CID: 11664203
• Molecular Formula: C36H39N5O2
• Molecular Weight: 573.74 g/mol
• Exact Mass: 573.31
• IUPAC Name: 4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide
• SMILES: CCc1ccc(C(=O)Nc2ccc(OCCN3CCN(c4cccc5[nH]c(-c6ccc(CC)cc6)nc45)CC3)cc2)cc1
• InChI: InChI=1S/C36H39N5O2/c1-3-26-8-12-28(13-9-26)35-38-32-6-5-7-33(34(32)39-35)41-22-20-40(21-23-41)24-25-43-31-18-16-30(17-19-31)37-36(42)29-14-10-27(4-2)11-15-29/h5-19H,3-4,20-25H2,1-2H3,(H,37,42)(H,38,39)
• InChIKey: UFWPAKJNMUIJFM-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 73.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.74
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide?

The IUPAC name of 4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide (CID 11664203) is 4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide.

What is the SMILES notation for 4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide?

The canonical SMILES for 4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide is CCc1ccc(C(=O)Nc2ccc(OCCN3CCN(c4cccc5[nH]c(-c6ccc(CC)cc6)nc45)CC3)cc2)cc1.

What is the InChIKey of 4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide?

The InChIKey is UFWPAKJNMUIJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N5O2/c1-3-26-8-12-28(13-9-26)35-38-32-6-5-7-33(34(32)39-35)41-22-20-40(21-23-41)24-25-43-31-18-16-30(17-19-31)37-36(42)29-14-10-27(4-2)11-15-29/h5-19H,3-4,20-25H2,1-2H3,(H,37,42)(H,38,39).

What are the key properties of 4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide?

4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide has a molecular weight of 573.74 g/mol, XLogP of 6.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide is sourced from PubChem (CID 11664203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).