2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid

C30H26F3N5O4S — CID 175524690

About 2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid

2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid (PubChem CID 175524690) has the molecular formula C30H26F3N5O4S and a molecular weight of 609.63 g/mol. Its IUPAC name is 2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid
• PubChem CID: 175524690
• Molecular Formula: C30H26F3N5O4S
• Molecular Weight: 609.63 g/mol
• Exact Mass: 609.17
• IUPAC Name: 2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid
• SMILES: Cc1nnc(COc2cccc(-c3cc(F)c(Cc4nc5c(F)cc(C(=O)O)cc5n4C4COCC4(C)C)cc3F)n2)s1
• InChI: InChI=1S/C30H26F3N5O4S/c1-15-36-37-27(43-15)13-42-26-6-4-5-22(34-26)18-11-19(31)16(7-20(18)32)10-25-35-28-21(33)8-17(29(39)40)9-23(28)38(25)24-12-41-14-30(24,2)3/h4-9,11,24H,10,12-14H2,1-3H3,(H,39,40)
• InChIKey: LDHRVUWIAVIJSV-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 112.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.63
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid?

The IUPAC name of 2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid (CID 175524690) is 2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid.

What is the SMILES notation for 2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid?

The canonical SMILES for 2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid is Cc1nnc(COc2cccc(-c3cc(F)c(Cc4nc5c(F)cc(C(=O)O)cc5n4C4COCC4(C)C)cc3F)n2)s1.

What is the InChIKey of 2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid?

The InChIKey is LDHRVUWIAVIJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N5O4S/c1-15-36-37-27(43-15)13-42-26-6-4-5-22(34-26)18-11-19(31)16(7-20(18)32)10-25-35-28-21(33)8-17(29(39)40)9-23(28)38(25)24-12-41-14-30(24,2)3/h4-9,11,24H,10,12-14H2,1-3H3,(H,39,40).

What are the key properties of 2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid?

2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid has a molecular weight of 609.63 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,5-difluoro-4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(4,4-dimethyloxolan-3-yl)-7-fluorobenzimidazole-5-carboxylic acid is sourced from PubChem (CID 175524690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).