N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide

C33H38N4O2 — CID 16979206

About N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide

N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 16979206) has the molecular formula C33H38N4O2 and a molecular weight of 522.69 g/mol. Its IUPAC name is N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
• PubChem CID: 16979206
• Molecular Formula: C33H38N4O2
• Molecular Weight: 522.69 g/mol
• Exact Mass: 522.30
• IUPAC Name: N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
• SMILES: Cc1ccccc1CC(=O)NCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1
• InChI: InChI=1S/C33H38N4O2/c1-25-12-8-9-15-27(25)22-32(38)34-21-20-31-35-29-18-10-11-19-30(29)37(31)24-33(39)36(28-16-6-3-7-17-28)23-26-13-4-2-5-14-26/h2,4-5,8-15,18-19,28H,3,6-7,16-17,20-24H2,1H3,(H,34,38)
• InChIKey: ZTRZGEDQSIFOIW-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.69
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?

The IUPAC name of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide (CID 16979206) is N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide.

What is the SMILES notation for N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?

The canonical SMILES for N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CCCCC1.

What is the InChIKey of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?

The InChIKey is ZTRZGEDQSIFOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O2/c1-25-12-8-9-15-27(25)22-32(38)34-21-20-31-35-29-18-10-11-19-30(29)37(31)24-33(39)36(28-16-6-3-7-17-28)23-26-13-4-2-5-14-26/h2,4-5,8-15,18-19,28H,3,6-7,16-17,20-24H2,1H3,(H,34,38).

What are the key properties of N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide?

N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 522.69 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 16979206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).