tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate

C23H28N2O3 — CID 102384780

IUPACtert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate
SMILESCN1CC(Cc2ccc(C(=O)OC(C)(C)C)cc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C23H28N2O3/c1-23(2,3)28-21(26)19-12-10-17(11-13-19)14-20-16-24(4)22(27)25(20)15-18-8-6-5-7-9-18/h5-13,20H,14-16H2,1-4H3
InChIKeyVRCGJOKMMYQFJE-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.12
Rot. Bonds5

About tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate

tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate (PubChem CID 102384780) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate.

Molecular Properties

Compound Nametert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate
PubChem CID102384780
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nametert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate
SMILESCN1CC(Cc2ccc(C(=O)OC(C)(C)C)cc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C23H28N2O3/c1-23(2,3)28-21(26)19-12-10-17(11-13-19)14-20-16-24(4)22(27)25(20)15-18-8-6-5-7-9-18/h5-13,20H,14-16H2,1-4H3
InChIKeyVRCGJOKMMYQFJE-UHFFFAOYSA-N
XLogP4.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate?
The IUPAC name of tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate (CID 102384780) is tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate.
What is the SMILES notation for tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate?
The canonical SMILES for tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate is CN1CC(Cc2ccc(C(=O)OC(C)(C)C)cc2)N(Cc2ccccc2)C1=O.
What is the InChIKey of tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate?
The InChIKey is VRCGJOKMMYQFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,3)28-21(26)19-12-10-17(11-13-19)14-20-16-24(4)22(27)25(20)15-18-8-6-5-7-9-18/h5-13,20H,14-16H2,1-4H3.
What are the key properties of tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate?
tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate has a molecular weight of 380.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-benzyl-1-methyl-2-oxoimidazolidin-4-yl)methyl]benzoate is sourced from PubChem (CID 102384780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).