tert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate

C26H32N2O4 — CID 54086396

IUPACtert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)C(c2ccccc2)N(C(=O)c2ccccc2)C1C(C)(C)C
InChIInChI=1S/C26H32N2O4/c1-25(2,3)24-27(17-20(29)32-26(4,5)6)23(31)21(18-13-9-7-10-14-18)28(24)22(30)19-15-11-8-12-16-19/h7-16,21,24H,17H2,1-6H3
InChIKeyMQUJTPYAGCAWMR-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.43
Rot. Bonds4

About tert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate

tert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate (PubChem CID 54086396) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is tert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate
PubChem CID54086396
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Nametert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)C(c2ccccc2)N(C(=O)c2ccccc2)C1C(C)(C)C
InChIInChI=1S/C26H32N2O4/c1-25(2,3)24-27(17-20(29)32-26(4,5)6)23(31)21(18-13-9-7-10-14-18)28(24)22(30)19-15-11-8-12-16-19/h7-16,21,24H,17H2,1-6H3
InChIKeyMQUJTPYAGCAWMR-UHFFFAOYSA-N
XLogP4.43
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate?
The IUPAC name of tert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate (CID 54086396) is tert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate is CC(C)(C)OC(=O)CN1C(=O)C(c2ccccc2)N(C(=O)c2ccccc2)C1C(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate?
The InChIKey is MQUJTPYAGCAWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-25(2,3)24-27(17-20(29)32-26(4,5)6)23(31)21(18-13-9-7-10-14-18)28(24)22(30)19-15-11-8-12-16-19/h7-16,21,24H,17H2,1-6H3.
What are the key properties of tert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate?
tert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate has a molecular weight of 436.55 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-benzoyl-2-tert-butyl-5-oxo-4-phenylimidazolidin-1-yl)acetate is sourced from PubChem (CID 54086396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).