2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide

C26H31N5O2 — CID 47058980

About 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide

2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 47058980) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
• PubChem CID: 47058980
• Molecular Formula: C26H31N5O2
• Molecular Weight: 445.57 g/mol
• Exact Mass: 445.25
• IUPAC Name: 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
• SMILES: O=C(Cn1c(=O)n(C2=CCCCC2)c2ccccc21)NC1CCN(Cc2ccccn2)CC1
• InChI: InChI=1S/C26H31N5O2/c32-25(28-20-13-16-29(17-14-20)18-21-8-6-7-15-27-21)19-30-23-11-4-5-12-24(23)31(26(30)33)22-9-2-1-3-10-22/h4-9,11-12,15,20H,1-3,10,13-14,16-19H2,(H,28,32)
• InChIKey: ULIKBORUZQQCCP-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 72.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.57
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?

The IUPAC name of 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide (CID 47058980) is 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide.

What is the SMILES notation for 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?

The canonical SMILES for 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide is O=C(Cn1c(=O)n(C2=CCCCC2)c2ccccc21)NC1CCN(Cc2ccccn2)CC1.

What is the InChIKey of 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?

The InChIKey is ULIKBORUZQQCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c32-25(28-20-13-16-29(17-14-20)18-21-8-6-7-15-27-21)19-30-23-11-4-5-12-24(23)31(26(30)33)22-9-2-1-3-10-22/h4-9,11-12,15,20H,1-3,10,13-14,16-19H2,(H,28,32).

What are the key properties of 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?

2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 445.57 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 47058980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).