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

C34H41N5O2 — CID 11548491

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

N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]cyclohexanecarboxamide (PubChem CID 11548491) has the molecular formula C34H41N5O2 and a molecular weight of 551.74 g/mol. Its IUPAC name is N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]cyclohexanecarboxamide
• PubChem CID: 11548491
• Molecular Formula: C34H41N5O2
• Molecular Weight: 551.74 g/mol
• Exact Mass: 551.33
• IUPAC Name: N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]cyclohexanecarboxamide
• SMILES: CCc1ccc(-c2nc3c(N4CCN(CCOc5ccc(NC(=O)C6CCCCC6)cc5)CC4)cccc3[nH]2)cc1
• InChI: InChI=1S/C34H41N5O2/c1-2-25-11-13-26(14-12-25)33-36-30-9-6-10-31(32(30)37-33)39-21-19-38(20-22-39)23-24-41-29-17-15-28(16-18-29)35-34(40)27-7-4-3-5-8-27/h6,9-18,27H,2-5,7-8,19-24H2,1H3,(H,35,40)(H,36,37)
• InChIKey: QQGOPJISAUGKIH-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 73.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.74
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]cyclohexanecarboxamide (CID 11548491) is N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]cyclohexanecarboxamide.

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

The canonical SMILES for N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]cyclohexanecarboxamide is CCc1ccc(-c2nc3c(N4CCN(CCOc5ccc(NC(=O)C6CCCCC6)cc5)CC4)cccc3[nH]2)cc1.

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

The InChIKey is QQGOPJISAUGKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N5O2/c1-2-25-11-13-26(14-12-25)33-36-30-9-6-10-31(32(30)37-33)39-21-19-38(20-22-39)23-24-41-29-17-15-28(16-18-29)35-34(40)27-7-4-3-5-8-27/h6,9-18,27H,2-5,7-8,19-24H2,1H3,(H,35,40)(H,36,37).

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

N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]cyclohexanecarboxamide has a molecular weight of 551.74 g/mol, XLogP of 6.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 11548491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).