2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide

C27H24F2N6O4S2 — CID 175568421

About 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide

2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 175568421) has the molecular formula C27H24F2N6O4S2 and a molecular weight of 598.66 g/mol. Its IUPAC name is 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

• Compound Name: 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide
• PubChem CID: 175568421
• Molecular Formula: C27H24F2N6O4S2
• Molecular Weight: 598.66 g/mol
• Exact Mass: 598.13
• IUPAC Name: 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide
• SMILES: CNS(=O)(=O)c1cnc(-n2c(C3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)s1
• InChI: InChI=1S/C27H24F2N6O4S2/c1-14-25(15(2)39-33-14)16-7-10-21-20(11-16)32-26(35(21)27-31-13-24(40-27)41(37,38)30-3)22-5-4-6-23(36)34(22)17-8-9-18(28)19(29)12-17/h7-13,22,30H,4-6H2,1-3H3
• InChIKey: JZLFGOHAHZMQMT-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 123.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.66
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide?

The IUPAC name of 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide (CID 175568421) is 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide.

What is the SMILES notation for 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide?

The canonical SMILES for 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide is CNS(=O)(=O)c1cnc(-n2c(C3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)s1.

What is the InChIKey of 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide?

The InChIKey is JZLFGOHAHZMQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N6O4S2/c1-14-25(15(2)39-33-14)16-7-10-21-20(11-16)32-26(35(21)27-31-13-24(40-27)41(37,38)30-3)22-5-4-6-23(36)34(22)17-8-9-18(28)19(29)12-17/h7-13,22,30H,4-6H2,1-3H3.

What are the key properties of 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide?

2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 598.66 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]-N-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 175568421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).