2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide

C27H28N4O3 — CID 16979690

About 2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide

2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16979690) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
• PubChem CID: 16979690
• Molecular Formula: C27H28N4O3
• Molecular Weight: 456.55 g/mol
• Exact Mass: 456.22
• IUPAC Name: 2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
• SMILES: COc1ccc(CC(=O)NCCc2nc3ccccc3n2CC(=O)N(C)c2ccccc2)cc1
• InChI: InChI=1S/C27H28N4O3/c1-30(21-8-4-3-5-9-21)27(33)19-31-24-11-7-6-10-23(24)29-25(31)16-17-28-26(32)18-20-12-14-22(34-2)15-13-20/h3-15H,16-19H2,1-2H3,(H,28,32)
• InChIKey: PZWSBXHSQQLHIT-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.55
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide?

The IUPAC name of 2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide (CID 16979690) is 2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide.

What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide?

The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide is COc1ccc(CC(=O)NCCc2nc3ccccc3n2CC(=O)N(C)c2ccccc2)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide?

The InChIKey is PZWSBXHSQQLHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-30(21-8-4-3-5-9-21)27(33)19-31-24-11-7-6-10-23(24)29-25(31)16-17-28-26(32)18-20-12-14-22(34-2)15-13-20/h3-15H,16-19H2,1-2H3,(H,28,32).

What are the key properties of 2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide?

2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 456.55 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16979690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).