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

C27H28FN5O4S — CID 134457404

IUPAC(5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)nc([C@H]1CCC(=O)N1c1cccc(F)c1)n2[C@@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C27H28FN5O4S/c1-16-26(17(2)37-30-16)18-7-8-23-22(13-18)29-27(33(23)21-11-12-31(15-21)38(3,35)36)24-9-10-25(34)32(24)20-6-4-5-19(28)14-20/h4-8,13-14,21,24H,9-12,15H2,1-3H3/t21-,24-/m1/s1
InChIKeyZBIORFWTWOHVLU-ZJSXRUAMSA-N
MW537.62 g/mol
LogP4.52
Rot. Bonds5

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

(5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one (PubChem CID 134457404) has the molecular formula C27H28FN5O4S and a molecular weight of 537.62 g/mol. Its IUPAC name is (5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one
PubChem CID134457404
Molecular FormulaC27H28FN5O4S
Molecular Weight537.62 g/mol
Exact Mass537.18
IUPAC Name(5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)nc([C@H]1CCC(=O)N1c1cccc(F)c1)n2[C@@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C27H28FN5O4S/c1-16-26(17(2)37-30-16)18-7-8-23-22(13-18)29-27(33(23)21-11-12-31(15-21)38(3,35)36)24-9-10-25(34)32(24)20-6-4-5-19(28)14-20/h4-8,13-14,21,24H,9-12,15H2,1-3H3/t21-,24-/m1/s1
InChIKeyZBIORFWTWOHVLU-ZJSXRUAMSA-N
XLogP4.52
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.62
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one (CID 134457404) is (5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one is Cc1noc(C)c1-c1ccc2c(c1)nc([C@H]1CCC(=O)N1c1cccc(F)c1)n2[C@@H]1CCN(S(C)(=O)=O)C1.
What is the InChIKey of (5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The InChIKey is ZBIORFWTWOHVLU-ZJSXRUAMSA-N. The full InChI is InChI=1S/C27H28FN5O4S/c1-16-26(17(2)37-30-16)18-7-8-23-22(13-18)29-27(33(23)21-11-12-31(15-21)38(3,35)36)24-9-10-25(34)32(24)20-6-4-5-19(28)14-20/h4-8,13-14,21,24H,9-12,15H2,1-3H3/t21-,24-/m1/s1.
What are the key properties of (5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one?
(5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one has a molecular weight of 537.62 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 134457404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).