2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate

C18H26N2O3 — CID 15610028

IUPAC2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate
SMILESCN1C(=O)[C@@H](C(C)(C)OC(=O)c2ccccc2)N[C@@H]1C(C)(C)C
InChIInChI=1S/C18H26N2O3/c1-17(2,3)16-19-13(14(21)20(16)6)18(4,5)23-15(22)12-10-8-7-9-11-12/h7-11,13,16,19H,1-6H3/t13-,16-/m0/s1
InChIKeyBCAQZKSWLPKUCT-BBRMVZONSA-N
MW318.42 g/mol
LogP2.42
Rot. Bonds3

About 2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate

2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate (PubChem CID 15610028) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate.

Molecular Properties

Compound Name2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate
PubChem CID15610028
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate
SMILESCN1C(=O)[C@@H](C(C)(C)OC(=O)c2ccccc2)N[C@@H]1C(C)(C)C
InChIInChI=1S/C18H26N2O3/c1-17(2,3)16-19-13(14(21)20(16)6)18(4,5)23-15(22)12-10-8-7-9-11-12/h7-11,13,16,19H,1-6H3/t13-,16-/m0/s1
InChIKeyBCAQZKSWLPKUCT-BBRMVZONSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate with MolForge

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Related Compounds

[1-(2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl)-2,2,2-trifluoroethyl] benzoate
CID 571008
[(1R)-1-[(2R,4S)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]-2-(4-chlorophenyl)ethyl] benzoate
CID 10093267
(2R,5R)-2-tert-butyl-3-methyl-5-phenylimidazolidin-4-one;2,2,2-trichloroacetic acid
CID 53260184
CID 162139404
CID 162139404
(3-oxo-2-phenylbutan-2-yl) benzoate
CID 102265108
(3,4-dibenzoyloxy-3-methylpentan-2-yl) benzoate
CID 21302045
[(3R,6R,7aS)-3-tert-butyl-2-methyl-1-oxo-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-6-yl] benzoate
CID 10870815
[(3-tert-butylcyclobutylidene)amino] benzoate
CID 102015578
benzoyl benzenecarboperoxoate;1-phenylethanone
CID 158043567
[(1S,5S)-5-tert-butyl-2-oxocyclohexyl] benzoate
CID 11500059
(1-cyano-1-hydroxy-2-phenylpropan-2-yl) benzoate
CID 132966637
(2R,4R)-3-benzoyl-2-tert-butyl-6-oxo-1,3-diazinane-4-carboxylic acid
CID 98176413

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate?
The IUPAC name of 2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate (CID 15610028) is 2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate.
What is the SMILES notation for 2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate?
The canonical SMILES for 2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate is CN1C(=O)[C@@H](C(C)(C)OC(=O)c2ccccc2)N[C@@H]1C(C)(C)C.
What is the InChIKey of 2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate?
The InChIKey is BCAQZKSWLPKUCT-BBRMVZONSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-17(2,3)16-19-13(14(21)20(16)6)18(4,5)23-15(22)12-10-8-7-9-11-12/h7-11,13,16,19H,1-6H3/t13-,16-/m0/s1.
What are the key properties of 2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate?
2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate has a molecular weight of 318.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-2-tert-butyl-1-methyl-5-oxoimidazolidin-4-yl]propan-2-yl benzoate is sourced from PubChem (CID 15610028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).