2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen

C49H40F5N13O6 — CID 145383707

About 2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen

2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen (PubChem CID 145383707) has the molecular formula C49H40F5N13O6 and a molecular weight of 1001.93 g/mol. Its IUPAC name is 2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen
• PubChem CID: 145383707
• Molecular Formula: C49H40F5N13O6
• Molecular Weight: 1001.93 g/mol
• Exact Mass: 1001.31
• IUPAC Name: 2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen
• SMILES: Cn1nnnc1-n1c(OCc2cccc(NC(=O)C(F)(F)Oc3ccccc3)n2)nc2ccc(F)cc21.O=C(Nc1cccc(COc2nc3ccccc3n2-c2ccccn2)n1)C(F)(F)Oc1ccccc1.[H][H].[H][H]
• InChI: InChI=1S/C26H19F2N5O3.C23H17F3N8O3.2H2/c27-26(28,36-19-10-2-1-3-11-19)24(34)32-22-14-8-9-18(30-22)17-35-25-31-20-12-4-5-13-21(20)33(25)23-15-6-7-16-29-23;1-33-21(30-31-32-33)34-18-12-14(24)10-11-17(18)28-22(34)36-13-15-6-5-9-19(27-15)29-20(35)23(25,26)37-16-7-3-2-4-8-16;;/h1-16H,17H2,(H,30,32,34);2-12H,13H2,1H3,(H,27,29,35);2*1H
• InChIKey: BBICGQPQGXVTDD-UHFFFAOYSA-N
• XLogP: 8.77
• TPSA: 213.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1001.93
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen?

The IUPAC name of 2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen (CID 145383707) is 2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen.

What is the SMILES notation for 2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen?

The canonical SMILES for 2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen is Cn1nnnc1-n1c(OCc2cccc(NC(=O)C(F)(F)Oc3ccccc3)n2)nc2ccc(F)cc21.O=C(Nc1cccc(COc2nc3ccccc3n2-c2ccccn2)n1)C(F)(F)Oc1ccccc1.[H][H].[H][H].

What is the InChIKey of 2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen?

The InChIKey is BBICGQPQGXVTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O3.C23H17F3N8O3.2H2/c27-26(28,36-19-10-2-1-3-11-19)24(34)32-22-14-8-9-18(30-22)17-35-25-31-20-12-4-5-13-21(20)33(25)23-15-6-7-16-29-23;1-33-21(30-31-32-33)34-18-12-14(24)10-11-17(18)28-22(34)36-13-15-6-5-9-19(27-15)29-20(35)23(25,26)37-16-7-3-2-4-8-16;;/h1-16H,17H2,(H,30,32,34);2-12H,13H2,1H3,(H,27,29,35);2*1H.

What are the key properties of 2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen?

2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen has a molecular weight of 1001.93 g/mol, XLogP of 8.77, 16 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide;2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)oxymethyl]-2-pyridinyl]acetamide;molecular hydrogen is sourced from PubChem (CID 145383707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).