5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one

C22H33N3O4Si — CID 59008973

IUPAC5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C22H33N3O4Si/c1-13(29-30(7,8)22(2,3)4)19-15(23-20(19)27)12-18(26)14-9-10-16-17(11-14)25(6)21(28)24(16)5/h9-11,13,15,19H,12H2,1-8H3,(H,23,27)/t13-,15-,19-/m1/s1
InChIKeyHAZJRLSLADSCAR-ZXYWRSMDSA-N
MW431.61 g/mol
LogP2.97
Rot. Bonds6

About 5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one

5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 59008973) has the molecular formula C22H33N3O4Si and a molecular weight of 431.61 g/mol. Its IUPAC name is 5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID59008973
Molecular FormulaC22H33N3O4Si
Molecular Weight431.61 g/mol
Exact Mass431.22
IUPAC Name5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C22H33N3O4Si/c1-13(29-30(7,8)22(2,3)4)19-15(23-20(19)27)12-18(26)14-9-10-16-17(11-14)25(6)21(28)24(16)5/h9-11,13,15,19H,12H2,1-8H3,(H,23,27)/t13-,15-,19-/m1/s1
InChIKeyHAZJRLSLADSCAR-ZXYWRSMDSA-N
XLogP2.97
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.61
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one (CID 59008973) is 5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1CC(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is HAZJRLSLADSCAR-ZXYWRSMDSA-N. The full InChI is InChI=1S/C22H33N3O4Si/c1-13(29-30(7,8)22(2,3)4)19-15(23-20(19)27)12-18(26)14-9-10-16-17(11-14)25(6)21(28)24(16)5/h9-11,13,15,19H,12H2,1-8H3,(H,23,27)/t13-,15-,19-/m1/s1.
What are the key properties of 5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one?
5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 431.61 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 59008973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).