(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one

C21H19N5O2 — CID 134457665

IUPAC(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one
SMILESCc1noc(C)c1-c1ccc2nc([C@@H]3CCC(=O)N3c3cccnc3)[nH]c2c1
InChIInChI=1S/C21H19N5O2/c1-12-20(13(2)28-25-12)14-5-6-16-17(10-14)24-21(23-16)18-7-8-19(27)26(18)15-4-3-9-22-11-15/h3-6,9-11,18H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyWQCPZMRPLZGLII-SFHVURJKSA-N
MW373.42 g/mol
LogP4.10
Rot. Bonds3

About (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one

(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one (PubChem CID 134457665) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one
PubChem CID134457665
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one
SMILESCc1noc(C)c1-c1ccc2nc([C@@H]3CCC(=O)N3c3cccnc3)[nH]c2c1
InChIInChI=1S/C21H19N5O2/c1-12-20(13(2)28-25-12)14-5-6-16-17(10-14)24-21(23-16)18-7-8-19(27)26(18)15-4-3-9-22-11-15/h3-6,9-11,18H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyWQCPZMRPLZGLII-SFHVURJKSA-N
XLogP4.10
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one (CID 134457665) is (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one is Cc1noc(C)c1-c1ccc2nc([C@@H]3CCC(=O)N3c3cccnc3)[nH]c2c1.
What is the InChIKey of (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is WQCPZMRPLZGLII-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-12-20(13(2)28-25-12)14-5-6-16-17(10-14)24-21(23-16)18-7-8-19(27)26(18)15-4-3-9-22-11-15/h3-6,9-11,18H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1.
What are the key properties of (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one?
(5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 373.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]-1-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 134457665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).