2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide

C30H34N4O4 — CID 16972963

About 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16972963) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
• PubChem CID: 16972963
• Molecular Formula: C30H34N4O4
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.26
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
• SMILES: COc1ccc(CC(=O)NC(C)c2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1OC
• InChI: InChI=1S/C30H34N4O4/c1-20(2)34(23-11-7-6-8-12-23)29(36)19-33-25-14-10-9-13-24(25)32-30(33)21(3)31-28(35)18-22-15-16-26(37-4)27(17-22)38-5/h6-17,20-21H,18-19H2,1-5H3,(H,31,35)
• InChIKey: VABQAESCPIHDNA-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide?

The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide (CID 16972963) is 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide is COc1ccc(CC(=O)NC(C)c2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1OC.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide?

The InChIKey is VABQAESCPIHDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-20(2)34(23-11-7-6-8-12-23)29(36)19-33-25-14-10-9-13-24(25)32-30(33)21(3)31-28(35)18-22-15-16-26(37-4)27(17-22)38-5/h6-17,20-21H,18-19H2,1-5H3,(H,31,35).

What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide?

2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 514.63 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16972963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).