(2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one

C15H20N2O2 — CID 688128

IUPAC(2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one
SMILESCN1C(=O)CN(C(=O)c2ccccc2)[C@H]1C(C)(C)C
InChIInChI=1S/C15H20N2O2/c1-15(2,3)14-16(4)12(18)10-17(14)13(19)11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3/t14-/m0/s1
InChIKeyQMSFVKQUCYMTLD-AWEZNQCLSA-N
MW260.34 g/mol
LogP1.97
Rot. Bonds1

About (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one

(2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one (PubChem CID 688128) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name(2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one
PubChem CID688128
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one
SMILESCN1C(=O)CN(C(=O)c2ccccc2)[C@H]1C(C)(C)C
InChIInChI=1S/C15H20N2O2/c1-15(2,3)14-16(4)12(18)10-17(14)13(19)11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3/t14-/m0/s1
InChIKeyQMSFVKQUCYMTLD-AWEZNQCLSA-N
XLogP1.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

Ethotoin
CID 3292
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
N,N-Dibutylbenzamide
CID 32774
3-(4-Benzoylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 2877352
(4-Propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 10452850
N-benzoyl-1-piperidinecarboxamide
CID 974065
4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzamide
CID 2810721
(4-Methyl-1-piperazinyl)phenylmethanone
CID 1531644
2-Pyrrolidinone, 1-benzoyl-
CID 98624
1-Benzoyl-2-thiohydantoin
CID 949912
N-(Dimethylaminomethyl)-phthalimide
CID 295571
1-(4-Methylbenzoyl)pyrrolidine
CID 721203

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one?
The IUPAC name of (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one (CID 688128) is (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one.
What is the SMILES notation for (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one?
The canonical SMILES for (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one is CN1C(=O)CN(C(=O)c2ccccc2)[C@H]1C(C)(C)C.
What is the InChIKey of (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one?
The InChIKey is QMSFVKQUCYMTLD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)14-16(4)12(18)10-17(14)13(19)11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one?
(2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one has a molecular weight of 260.34 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one is sourced from PubChem (CID 688128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).