3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

C26H32N4O4 — CID 17010070

About 3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17010070) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
• PubChem CID: 17010070
• Molecular Formula: C26H32N4O4
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.24
• IUPAC Name: 3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
• SMILES: COc1ccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)N2CCCCC2C)cc1OC
• InChI: InChI=1S/C26H32N4O4/c1-17-9-7-8-14-29(17)24(31)16-30-21-11-6-5-10-20(21)28-25(30)18(2)27-26(32)19-12-13-22(33-3)23(15-19)34-4/h5-6,10-13,15,17-18H,7-9,14,16H2,1-4H3,(H,27,32)
• InChIKey: QWHQVIOAQMDRRJ-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?

The IUPAC name of 3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17010070) is 3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

What is the SMILES notation for 3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?

The canonical SMILES for 3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is COc1ccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)N2CCCCC2C)cc1OC.

What is the InChIKey of 3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?

The InChIKey is QWHQVIOAQMDRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17-9-7-8-14-29(17)24(31)16-30-21-11-6-5-10-20(21)28-25(30)18(2)27-26(32)19-12-13-22(33-3)23(15-19)34-4/h5-6,10-13,15,17-18H,7-9,14,16H2,1-4H3,(H,27,32).

What are the key properties of 3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?

3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 464.57 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17010070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).