4-methoxy-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

C25H30N4O3 — CID 16976813

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

4-methoxy-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16976813) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
• PubChem CID: 16976813
• Molecular Formula: C25H30N4O3
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: 4-methoxy-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
• SMILES: COc1ccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)cc1
• InChI: InChI=1S/C25H30N4O3/c1-18-12-15-28(16-13-18)24(30)17-29-22-6-4-3-5-21(22)27-23(29)11-14-26-25(31)19-7-9-20(32-2)10-8-19/h3-10,18H,11-17H2,1-2H3,(H,26,31)
• InChIKey: TWHOPQJAVMUWOS-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-methoxy-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16976813) is 4-methoxy-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

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

The canonical SMILES for 4-methoxy-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is COc1ccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)cc1.

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

The InChIKey is TWHOPQJAVMUWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18-12-15-28(16-13-18)24(30)17-29-22-6-4-3-5-21(22)27-23(29)11-14-26-25(31)19-7-9-20(32-2)10-8-19/h3-10,18H,11-17H2,1-2H3,(H,26,31).

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

4-methoxy-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16976813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).