2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid

C18H24N2O4 — CID 134916919

IUPAC2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid
SMILESCN1C(=O)[C@@](C)(CC(=O)O)N(C(=O)c2ccccc2)[C@@H]1C(C)(C)C
InChIInChI=1S/C18H24N2O4/c1-17(2,3)15-19(5)16(24)18(4,11-13(21)22)20(15)14(23)12-9-7-6-8-10-12/h6-10,15H,11H2,1-5H3,(H,21,22)/t15-,18-/m1/s1
InChIKeyZTLUCGDVQSLVCL-CRAIPNDOSA-N
MW332.40 g/mol
LogP2.21
Rot. Bonds3

About 2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid

2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid (PubChem CID 134916919) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid
PubChem CID134916919
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid
SMILESCN1C(=O)[C@@](C)(CC(=O)O)N(C(=O)c2ccccc2)[C@@H]1C(C)(C)C
InChIInChI=1S/C18H24N2O4/c1-17(2,3)15-19(5)16(24)18(4,11-13(21)22)20(15)14(23)12-9-7-6-8-10-12/h6-10,15H,11H2,1-5H3,(H,21,22)/t15-,18-/m1/s1
InChIKeyZTLUCGDVQSLVCL-CRAIPNDOSA-N
XLogP2.21
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate
CID 134870526
5-benzyl-2-tert-butyl-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide
CID 135142910
(2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one
CID 91703996
(3-hydroxy-2,2-dimethylaziridin-1-yl)-phenylmethanone
CID 151500520
1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one
CID 13491013
1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one
CID 571299
(5E)-1-benzoyl-2-tert-butyl-5-(3-hydroxy-3-methylbutylidene)-3-methylimidazolidin-4-one
CID 5369776
2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione
CID 58506468
2-tert-butyl-5-(4-cyanophenyl)-N,3-dimethyl-4-oxo-5-phenylimidazolidine-1-carboxamide
CID 135142912
3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one
CID 570264
(4S)-2,4-dimethyl-4-phenacylisoquinoline-1,3-dione
CID 139094558
2-tert-butyl-N,3,5-trimethyl-4-oxo-5-pyridin-3-ylimidazolidine-1-carboxamide
CID 135143345

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid (CID 134916919) is 2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid is CN1C(=O)[C@@](C)(CC(=O)O)N(C(=O)c2ccccc2)[C@@H]1C(C)(C)C.
What is the InChIKey of 2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid?
The InChIKey is ZTLUCGDVQSLVCL-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-17(2,3)15-19(5)16(24)18(4,11-13(21)22)20(15)14(23)12-9-7-6-8-10-12/h6-10,15H,11H2,1-5H3,(H,21,22)/t15-,18-/m1/s1.
What are the key properties of 2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid?
2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid is sourced from PubChem (CID 134916919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).