5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one

C28H30FN5O4S — CID 154948578

About 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one

5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one (PubChem CID 154948578) has the molecular formula C28H30FN5O4S and a molecular weight of 551.64 g/mol. Its IUPAC name is 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one
• PubChem CID: 154948578
• Molecular Formula: C28H30FN5O4S
• Molecular Weight: 551.64 g/mol
• Exact Mass: 551.20
• IUPAC Name: 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one
• SMILES: Cc1ccc(F)cc1N1C(=O)CCC1c1nc2cc(-c3c(C)noc3C)ccc2n1C1CCN(S(C)(=O)=O)C1
• InChI: InChI=1S/C28H30FN5O4S/c1-16-5-7-20(29)14-25(16)34-24(9-10-26(34)35)28-30-22-13-19(27-17(2)31-38-18(27)3)6-8-23(22)33(28)21-11-12-32(15-21)39(4,36)37/h5-8,13-14,21,24H,9-12,15H2,1-4H3
• InChIKey: BEVXMMSVWRKZIR-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 101.54 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.64
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one?

The IUPAC name of 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one (CID 154948578) is 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one.

What is the SMILES notation for 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one?

The canonical SMILES for 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one is Cc1ccc(F)cc1N1C(=O)CCC1c1nc2cc(-c3c(C)noc3C)ccc2n1C1CCN(S(C)(=O)=O)C1.

What is the InChIKey of 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one?

The InChIKey is BEVXMMSVWRKZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O4S/c1-16-5-7-20(29)14-25(16)34-24(9-10-26(34)35)28-30-22-13-19(27-17(2)31-38-18(27)3)6-8-23(22)33(28)21-11-12-32(15-21)39(4,36)37/h5-8,13-14,21,24H,9-12,15H2,1-4H3.

What are the key properties of 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one?

5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one has a molecular weight of 551.64 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylsulfonylpyrrolidin-3-yl)benzimidazol-2-yl]-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 154948578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).