N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

C24H38N4O2 — CID 16969456

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

N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 16969456) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
• PubChem CID: 16969456
• Molecular Formula: C24H38N4O2
• Molecular Weight: 414.59 g/mol
• Exact Mass: 414.30
• IUPAC Name: N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
• SMILES: CCC(C)N(C(=O)Cn1c(C(C)NC(=O)C(C)(C)C)nc2ccccc21)C(C)CC
• InChI: InChI=1S/C24H38N4O2/c1-9-16(3)28(17(4)10-2)21(29)15-27-20-14-12-11-13-19(20)26-22(27)18(5)25-23(30)24(6,7)8/h11-14,16-18H,9-10,15H2,1-8H3,(H,25,30)
• InChIKey: ONSBSXBQZJODDJ-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.59
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (CID 16969456) is N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.

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

The canonical SMILES for N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is CCC(C)N(C(=O)Cn1c(C(C)NC(=O)C(C)(C)C)nc2ccccc21)C(C)CC.

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

The InChIKey is ONSBSXBQZJODDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-9-16(3)28(17(4)10-2)21(29)15-27-20-14-12-11-13-19(20)26-22(27)18(5)25-23(30)24(6,7)8/h11-14,16-18H,9-10,15H2,1-8H3,(H,25,30).

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

N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 414.59 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 16969456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).