N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide

C31H39N3O3 — CID 68886012

About N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide

N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide (PubChem CID 68886012) has the molecular formula C31H39N3O3 and a molecular weight of 501.67 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
• PubChem CID: 68886012
• Molecular Formula: C31H39N3O3
• Molecular Weight: 501.67 g/mol
• Exact Mass: 501.30
• IUPAC Name: N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
• SMILES: CCOc1cccc2cc(C3(C(C(=O)NC4CCCCC4)C4CCCCC4)Nc4ccccc4N3)oc12
• InChI: InChI=1S/C31H39N3O3/c1-2-36-26-19-11-14-22-20-27(37-29(22)26)31(33-24-17-9-10-18-25(24)34-31)28(21-12-5-3-6-13-21)30(35)32-23-15-7-4-8-16-23/h9-11,14,17-21,23,28,33-34H,2-8,12-13,15-16H2,1H3,(H,32,35)
• InChIKey: PUDVFEIGACAWEN-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 75.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.67
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide?

The IUPAC name of N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide (CID 68886012) is N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide.

What is the SMILES notation for N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide?

The canonical SMILES for N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide is CCOc1cccc2cc(C3(C(C(=O)NC4CCCCC4)C4CCCCC4)Nc4ccccc4N3)oc12.

What is the InChIKey of N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide?

The InChIKey is PUDVFEIGACAWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O3/c1-2-36-26-19-11-14-22-20-27(37-29(22)26)31(33-24-17-9-10-18-25(24)34-31)28(21-12-5-3-6-13-21)30(35)32-23-15-7-4-8-16-23/h9-11,14,17-21,23,28,33-34H,2-8,12-13,15-16H2,1H3,(H,32,35).

What are the key properties of N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide?

N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide has a molecular weight of 501.67 g/mol, XLogP of 7.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide is sourced from PubChem (CID 68886012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).