N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide

C26H32N4O5 — CID 17008656

About N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide

N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide (PubChem CID 17008656) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

• Compound Name: N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
• PubChem CID: 17008656
• Molecular Formula: C26H32N4O5
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.24
• IUPAC Name: N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
• SMILES: COc1cc(C(=O)NCc2nc3ccccc3n2CC(=O)N2CCCCCC2)cc(OC)c1OC
• InChI: InChI=1S/C26H32N4O5/c1-33-21-14-18(15-22(34-2)25(21)35-3)26(32)27-16-23-28-19-10-6-7-11-20(19)30(23)17-24(31)29-12-8-4-5-9-13-29/h6-7,10-11,14-15H,4-5,8-9,12-13,16-17H2,1-3H3,(H,27,32)
• InChIKey: GNNWPXIOVWLRAA-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 94.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide?

The IUPAC name of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide (CID 17008656) is N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide.

What is the SMILES notation for N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide?

The canonical SMILES for N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCc2nc3ccccc3n2CC(=O)N2CCCCCC2)cc(OC)c1OC.

What is the InChIKey of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide?

The InChIKey is GNNWPXIOVWLRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-33-21-14-18(15-22(34-2)25(21)35-3)26(32)27-16-23-28-19-10-6-7-11-20(19)30(23)17-24(31)29-12-8-4-5-9-13-29/h6-7,10-11,14-15H,4-5,8-9,12-13,16-17H2,1-3H3,(H,27,32).

What are the key properties of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide?

N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 480.57 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 17008656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).