N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide

C115H105F5N36O14S2 — CID 158510681

About N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide

N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide (PubChem CID 158510681) has the molecular formula C115H105F5N36O14S2 and a molecular weight of 2374.47 g/mol. Its IUPAC name is N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide
• PubChem CID: 158510681
• Molecular Formula: C115H105F5N36O14S2
• Molecular Weight: 2374.47 g/mol
• Exact Mass: 2372.80
• IUPAC Name: N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide
• SMILES: C=S(C)(=O)CC(=O)Nc1cccc(COc2nc3ccccc3n2-c2nnnn2C)n1.C=S(C)CC(=O)Nc1cccc(COc2nc3ccccc3n2-c2nnnn2C)n1.Cc1nccnc1-n1c(OCc2cccc(NC(=O)C(C)(F)Oc3ccccc3)n2)nc2ccccc21.Cn1ccnc1-n1c(OCc2cccc(NC(=O)C(C)(F)Oc3ccccc3)n2)nc2ccccc21.Cn1nnnc1-n1c(OCc2cccc(NC(=O)C(C)(F)Oc3ccccc3)n2)nc2c(F)cc(F)cc21
• InChI: InChI=1S/C27H23FN6O3.C26H23FN6O3.C24H19F3N8O3.C19H20N8O3S.C19H20N8O2S/c1-18-24(30-16-15-29-18)34-22-13-7-6-12-21(22)32-26(34)36-17-19-9-8-14-23(31-19)33-25(35)27(2,28)37-20-10-4-3-5-11-20;1-26(27,36-19-10-4-3-5-11-19)23(34)31-22-14-8-9-18(29-22)17-35-25-30-20-12-6-7-13-21(20)33(25)24-28-15-16-32(24)2;1-24(27,38-16-8-4-3-5-9-16)21(36)29-19-10-6-7-15(28-19)13-37-23-30-20-17(26)11-14(25)12-18(20)35(23)22-31-32-33-34(22)2;1-26-18(23-24-25-26)27-15-9-5-4-8-14(15)21-19(27)30-11-13-7-6-10-16(20-13)22-17(28)12-31(2,3)29;1-26-18(23-24-25-26)27-15-9-5-4-8-14(15)21-19(27)29-11-13-7-6-10-16(20-13)22-17(28)12-30(2)3/h3-16H,17H2,1-2H3,(H,31,33,35);3-16H,17H2,1-2H3,(H,29,31,34);3-12H,13H2,1-2H3,(H,28,29,36);4-10H,2,11-12H2,1,3H3,(H,20,22,28);4-10H,2,11-12H2,1,3H3,(H,20,22,28)
• InChIKey: HKZXSSZXUXFEEV-UHFFFAOYSA-N
• XLogP: 15.34
• TPSA: 564.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 45
• Rotatable Bonds: 38
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2374.47
LogP ≤ 5	15.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide?

The IUPAC name of N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide (CID 158510681) is N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide is C=S(C)(=O)CC(=O)Nc1cccc(COc2nc3ccccc3n2-c2nnnn2C)n1.C=S(C)CC(=O)Nc1cccc(COc2nc3ccccc3n2-c2nnnn2C)n1.Cc1nccnc1-n1c(OCc2cccc(NC(=O)C(C)(F)Oc3ccccc3)n2)nc2ccccc21.Cn1ccnc1-n1c(OCc2cccc(NC(=O)C(C)(F)Oc3ccccc3)n2)nc2ccccc21.Cn1nnnc1-n1c(OCc2cccc(NC(=O)C(C)(F)Oc3ccccc3)n2)nc2c(F)cc(F)cc21.

What is the InChIKey of N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide?

The InChIKey is HKZXSSZXUXFEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O3.C26H23FN6O3.C24H19F3N8O3.C19H20N8O3S.C19H20N8O2S/c1-18-24(30-16-15-29-18)34-22-13-7-6-12-21(22)32-26(34)36-17-19-9-8-14-23(31-19)33-25(35)27(2,28)37-20-10-4-3-5-11-20;1-26(27,36-19-10-4-3-5-11-19)23(34)31-22-14-8-9-18(29-22)17-35-25-30-20-12-6-7-13-21(20)33(25)24-28-15-16-32(24)2;1-24(27,38-16-8-4-3-5-9-16)21(36)29-19-10-6-7-15(28-19)13-37-23-30-20-17(26)11-14(25)12-18(20)35(23)22-31-32-33-34(22)2;1-26-18(23-24-25-26)27-15-9-5-4-8-14(15)21-19(27)30-11-13-7-6-10-16(20-13)22-17(28)12-31(2,3)29;1-26-18(23-24-25-26)27-15-9-5-4-8-14(15)21-19(27)29-11-13-7-6-10-16(20-13)22-17(28)12-30(2)3/h3-16H,17H2,1-2H3,(H,31,33,35);3-16H,17H2,1-2H3,(H,29,31,34);3-12H,13H2,1-2H3,(H,28,29,36);4-10H,2,11-12H2,1,3H3,(H,20,22,28);4-10H,2,11-12H2,1,3H3,(H,20,22,28).

What are the key properties of N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide?

N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide has a molecular weight of 2374.47 g/mol, XLogP of 15.34, 38 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-fluoro-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(1-methylimidazol-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-fluoro-N-[6-[[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;2-[methyl(methylidene)-λ4-sulfanyl]-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide;2-(methyl-methylidene-oxo-λ6-sulfanyl)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 158510681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).