[2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate

C62H48Cl4F4N10O9 — CID 170345086

About [2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate

[2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate (PubChem CID 170345086) has the molecular formula C62H48Cl4F4N10O9 and a molecular weight of 1294.93 g/mol. Its IUPAC name is [2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate.

Molecular Properties

• Compound Name: [2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate
• PubChem CID: 170345086
• Molecular Formula: C62H48Cl4F4N10O9
• Molecular Weight: 1294.93 g/mol
• Exact Mass: 1292.23
• IUPAC Name: [2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate
• SMILES: CNC(=O)c1cc(Cl)c(COc2cccc(-c3cc(Cl)c(Cc4nc5c(F)cc(C(=O)OC(=O)c6cc(F)c7nc(Cc8cc(F)c(-c9cccc(OCc%10cnc(C(=O)NC)cc%10Cl)n9)cc8Cl)n(CCOC)c7c6)cc5n4CCOC)cc3F)n2)cn1
• InChI: InChI=1S/C62H48Cl4F4N10O9/c1-71-59(81)49-25-41(65)35(27-73-49)29-87-55-9-5-7-47(75-55)37-23-39(63)31(15-43(37)67)21-53-77-57-45(69)17-33(19-51(57)79(53)11-13-85-3)61(83)89-62(84)34-18-46(70)58-52(20-34)80(12-14-86-4)54(78-58)22-32-16-44(68)38(24-40(32)64)48-8-6-10-56(76-48)88-30-36-28-74-50(26-42(36)66)60(82)72-2/h5-10,15-20,23-28H,11-14,21-22,29-30H2,1-4H3,(H,71,81)(H,72,82)
• InChIKey: ACJWWUITDHDUCH-UHFFFAOYSA-N
• XLogP: 11.82
• TPSA: 225.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1294.93
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate?

The IUPAC name of [2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate (CID 170345086) is [2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate.

What is the SMILES notation for [2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate?

The canonical SMILES for [2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate is CNC(=O)c1cc(Cl)c(COc2cccc(-c3cc(Cl)c(Cc4nc5c(F)cc(C(=O)OC(=O)c6cc(F)c7nc(Cc8cc(F)c(-c9cccc(OCc%10cnc(C(=O)NC)cc%10Cl)n9)cc8Cl)n(CCOC)c7c6)cc5n4CCOC)cc3F)n2)cn1.

What is the InChIKey of [2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate?

The InChIKey is ACJWWUITDHDUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48Cl4F4N10O9/c1-71-59(81)49-25-41(65)35(27-73-49)29-87-55-9-5-7-47(75-55)37-23-39(63)31(15-43(37)67)21-53-77-57-45(69)17-33(19-51(57)79(53)11-13-85-3)61(83)89-62(84)34-18-46(70)58-52(20-34)80(12-14-86-4)54(78-58)22-32-16-44(68)38(24-40(32)64)48-8-6-10-56(76-48)88-30-36-28-74-50(26-42(36)66)60(82)72-2/h5-10,15-20,23-28H,11-14,21-22,29-30H2,1-4H3,(H,71,81)(H,72,82).

What are the key properties of [2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate?

[2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate has a molecular weight of 1294.93 g/mol, XLogP of 11.82, 22 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carbonyl] 2-[[2-chloro-4-[6-[[4-chloro-6-(methylcarbamoyl)-3-pyridinyl]methoxy]-2-pyridinyl]-5-fluorophenyl]methyl]-7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 170345086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).