2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide

C29H28ClF2N3O2 — CID 67372826

About 2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide

2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide (PubChem CID 67372826) has the molecular formula C29H28ClF2N3O2 and a molecular weight of 524.01 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide
• PubChem CID: 67372826
• Molecular Formula: C29H28ClF2N3O2
• Molecular Weight: 524.01 g/mol
• Exact Mass: 523.18
• IUPAC Name: 2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide
• SMILES: COC(c1ccccc1)c1nc2cc(F)c(F)cc2n1C(C(=O)NC1CCCCC1)c1cccc(Cl)c1
• InChI: InChI=1S/C29H28ClF2N3O2/c1-37-27(18-9-4-2-5-10-18)28-34-24-16-22(31)23(32)17-25(24)35(28)26(19-11-8-12-20(30)15-19)29(36)33-21-13-6-3-7-14-21/h2,4-5,8-12,15-17,21,26-27H,3,6-7,13-14H2,1H3,(H,33,36)
• InChIKey: IRGYJERFYWHHHT-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.01
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide?

The IUPAC name of 2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide (CID 67372826) is 2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide.

What is the SMILES notation for 2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide?

The canonical SMILES for 2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide is COC(c1ccccc1)c1nc2cc(F)c(F)cc2n1C(C(=O)NC1CCCCC1)c1cccc(Cl)c1.

What is the InChIKey of 2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide?

The InChIKey is IRGYJERFYWHHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF2N3O2/c1-37-27(18-9-4-2-5-10-18)28-34-24-16-22(31)23(32)17-25(24)35(28)26(19-11-8-12-20(30)15-19)29(36)33-21-13-6-3-7-14-21/h2,4-5,8-12,15-17,21,26-27H,3,6-7,13-14H2,1H3,(H,33,36).

What are the key properties of 2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide?

2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 524.01 g/mol, XLogP of 6.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 67372826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).