N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide

C28H38N4O3 — CID 16972820

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

N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 16972820) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
• PubChem CID: 16972820
• Molecular Formula: C28H38N4O3
• Molecular Weight: 478.64 g/mol
• Exact Mass: 478.29
• IUPAC Name: N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
• SMILES: CCC(C)N(C(=O)Cn1c(C(C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21)C(C)CC
• InChI: InChI=1S/C28H38N4O3/c1-7-19(3)32(20(4)8-2)27(34)18-31-25-12-10-9-11-24(25)30-28(31)21(5)29-26(33)17-22-13-15-23(35-6)16-14-22/h9-16,19-21H,7-8,17-18H2,1-6H3,(H,29,33)
• InChIKey: ZLDFVCZQPVIBFQ-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.64
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide (CID 16972820) is N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide.

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

The canonical SMILES for N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide is CCC(C)N(C(=O)Cn1c(C(C)NC(=O)Cc2ccc(OC)cc2)nc2ccccc21)C(C)CC.

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

The InChIKey is ZLDFVCZQPVIBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-7-19(3)32(20(4)8-2)27(34)18-31-25-12-10-9-11-24(25)30-28(31)21(5)29-26(33)17-22-13-15-23(35-6)16-14-22/h9-16,19-21H,7-8,17-18H2,1-6H3,(H,29,33).

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

N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 478.64 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16972820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).