N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide

C29H37F2N3O — CID 68730718

About N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide

N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide (PubChem CID 68730718) has the molecular formula C29H37F2N3O and a molecular weight of 481.63 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
• PubChem CID: 68730718
• Molecular Formula: C29H37F2N3O
• Molecular Weight: 481.63 g/mol
• Exact Mass: 481.29
• IUPAC Name: N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
• SMILES: O=C(NC1CCCCC1)C(C1CCCCC1)C1(CCc2ccccc2)Nc2cc(F)c(F)cc2N1
• InChI: InChI=1S/C29H37F2N3O/c30-23-18-25-26(19-24(23)31)34-29(33-25,17-16-20-10-4-1-5-11-20)27(21-12-6-2-7-13-21)28(35)32-22-14-8-3-9-15-22/h1,4-5,10-11,18-19,21-22,27,33-34H,2-3,6-9,12-17H2,(H,32,35)
• InChIKey: GLSALKGDIJZOON-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 53.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.63
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide?

The IUPAC name of N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide (CID 68730718) is N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide.

What is the SMILES notation for N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide?

The canonical SMILES for N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide is O=C(NC1CCCCC1)C(C1CCCCC1)C1(CCc2ccccc2)Nc2cc(F)c(F)cc2N1.

What is the InChIKey of N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide?

The InChIKey is GLSALKGDIJZOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37F2N3O/c30-23-18-25-26(19-24(23)31)34-29(33-25,17-16-20-10-4-1-5-11-20)27(21-12-6-2-7-13-21)28(35)32-22-14-8-3-9-15-22/h1,4-5,10-11,18-19,21-22,27,33-34H,2-3,6-9,12-17H2,(H,32,35).

What are the key properties of N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide?

N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide has a molecular weight of 481.63 g/mol, XLogP of 6.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide is sourced from PubChem (CID 68730718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).