N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

C26H34N4O2 — CID 16969455

About N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 16969455) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
• PubChem CID: 16969455
• Molecular Formula: C26H34N4O2
• Molecular Weight: 434.58 g/mol
• Exact Mass: 434.27
• IUPAC Name: N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
• SMILES: CC(NC(=O)C(C)(C)C)c1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)C
• InChI: InChI=1S/C26H34N4O2/c1-18(2)29(16-20-12-8-7-9-13-20)23(31)17-30-22-15-11-10-14-21(22)28-24(30)19(3)27-25(32)26(4,5)6/h7-15,18-19H,16-17H2,1-6H3,(H,27,32)
• InChIKey: FEWZQCWDYWWCOP-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.58
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (CID 16969455) is N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)c1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)C.

What is the InChIKey of N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?

The InChIKey is FEWZQCWDYWWCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-18(2)29(16-20-12-8-7-9-13-20)23(31)17-30-22-15-11-10-14-21(22)28-24(30)19(3)27-25(32)26(4,5)6/h7-15,18-19H,16-17H2,1-6H3,(H,27,32).

What are the key properties of N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?

N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 434.58 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16969455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).