(2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one

C15H22N2O — CID 59628812

IUPAC(2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one
SMILESCN1C(=O)CN[C@@H]1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O/c1-15(2,3)12-7-5-11(6-8-12)9-13-16-10-14(18)17(13)4/h5-8,13,16H,9-10H2,1-4H3/t13-/m0/s1
InChIKeySETDNODBMHMJAC-ZDUSSCGKSA-N
MW246.35 g/mol
LogP1.91
Rot. Bonds2

About (2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one

(2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one (PubChem CID 59628812) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one
PubChem CID59628812
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one
SMILESCN1C(=O)CN[C@@H]1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O/c1-15(2,3)12-7-5-11(6-8-12)9-13-16-10-14(18)17(13)4/h5-8,13,16H,9-10H2,1-4H3/t13-/m0/s1
InChIKeySETDNODBMHMJAC-ZDUSSCGKSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(4-tert-butylphenyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one?
The IUPAC name of (2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one (CID 59628812) is (2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one.
What is the SMILES notation for (2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one?
The canonical SMILES for (2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one is CN1C(=O)CN[C@@H]1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one?
The InChIKey is SETDNODBMHMJAC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)12-7-5-11(6-8-12)9-13-16-10-14(18)17(13)4/h5-8,13,16H,9-10H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one?
(2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one has a molecular weight of 246.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-tert-butylphenyl)methyl]-3-methylimidazolidin-4-one is sourced from PubChem (CID 59628812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).