N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide

C25H40N4O2 — CID 16974826

About N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide

N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide (PubChem CID 16974826) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
• PubChem CID: 16974826
• Molecular Formula: C25H40N4O2
• Molecular Weight: 428.62 g/mol
• Exact Mass: 428.32
• IUPAC Name: N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
• SMILES: CCC(CC)C(=O)NCCc1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C
• InChI: InChI=1S/C25H40N4O2/c1-7-20(8-2)25(31)26-14-13-23-27-21-11-9-10-12-22(21)29(23)17-24(30)28(15-18(3)4)16-19(5)6/h9-12,18-20H,7-8,13-17H2,1-6H3,(H,26,31)
• InChIKey: SGTLDEMTIGYORM-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.62
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide?

The IUPAC name of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide (CID 16974826) is N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide.

What is the SMILES notation for N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide?

The canonical SMILES for N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCc1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C.

What is the InChIKey of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide?

The InChIKey is SGTLDEMTIGYORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O2/c1-7-20(8-2)25(31)26-14-13-23-27-21-11-9-10-12-22(21)29(23)17-24(30)28(15-18(3)4)16-19(5)6/h9-12,18-20H,7-8,13-17H2,1-6H3,(H,26,31).

What are the key properties of N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide?

N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide has a molecular weight of 428.62 g/mol, XLogP of 4.27, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide is sourced from PubChem (CID 16974826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).