2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide

C29H32N4O2 — CID 16973287

About 2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide

2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16973287) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
• PubChem CID: 16973287
• Molecular Formula: C29H32N4O2
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.25
• IUPAC Name: 2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
• SMILES: Cc1ccccc1CC(=O)NC(C)c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C
• InChI: InChI=1S/C29H32N4O2/c1-20(2)33(24-14-6-5-7-15-24)28(35)19-32-26-17-11-10-16-25(26)31-29(32)22(4)30-27(34)18-23-13-9-8-12-21(23)3/h5-17,20,22H,18-19H2,1-4H3,(H,30,34)
• InChIKey: LOEKATRZQGSCKE-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.60
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide?

The IUPAC name of 2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide (CID 16973287) is 2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide.

What is the SMILES notation for 2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide?

The canonical SMILES for 2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide is Cc1ccccc1CC(=O)NC(C)c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C.

What is the InChIKey of 2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide?

The InChIKey is LOEKATRZQGSCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-20(2)33(24-14-6-5-7-15-24)28(35)19-32-26-17-11-10-16-25(26)31-29(32)22(4)30-27(34)18-23-13-9-8-12-21(23)3/h5-17,20,22H,18-19H2,1-4H3,(H,30,34).

What are the key properties of 2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide?

2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 468.60 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16973287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).