tert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate

C24H30N2O3 — CID 122394924

IUPACtert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate
SMILESCc1ccccc1C[C@@H]1NC(=O)N(C(=O)OC(C)(C)C)[C@H]1Cc1ccccc1C
InChIInChI=1S/C24H30N2O3/c1-16-10-6-8-12-18(16)14-20-21(15-19-13-9-7-11-17(19)2)26(22(27)25-20)23(28)29-24(3,4)5/h6-13,20-21H,14-15H2,1-5H3,(H,25,27)/t20-,21-/m0/s1
InChIKeyMEWIMLOIMVIXAD-SFTDATJTSA-N
MW394.52 g/mol
LogP4.79
Rot. Bonds4

About tert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate

tert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate (PubChem CID 122394924) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is tert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate
PubChem CID122394924
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Nametert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate
SMILESCc1ccccc1C[C@@H]1NC(=O)N(C(=O)OC(C)(C)C)[C@H]1Cc1ccccc1C
InChIInChI=1S/C24H30N2O3/c1-16-10-6-8-12-18(16)14-20-21(15-19-13-9-7-11-17(19)2)26(22(27)25-20)23(28)29-24(3,4)5/h6-13,20-21H,14-15H2,1-5H3,(H,25,27)/t20-,21-/m0/s1
InChIKeyMEWIMLOIMVIXAD-SFTDATJTSA-N
XLogP4.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate 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

tert-butyl (4S,5S)-4,5-bis[(3,5-dimethoxyphenyl)methyl]-2-oxoimidazolidine-1-carboxylate
CID 122394928
tert-butyl 3-[(2-methylphenyl)methyl]azetidine-1-carboxylate
CID 156785826
tert-butyl (3S)-3-[methyl-[(2-methylphenyl)methyl]amino]pyrrolidine-1-carboxylate
CID 59891400
tert-butyl (2S)-2-benzyl-4-oxoazetidine-1-carboxylate
CID 95898027
tert-butyl 3-[2-(2-methylphenyl)acetyl]pyrrolidine-1-carboxylate
CID 107091890
tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate
CID 134989278
tert-butyl 2-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 102559362
tert-butyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;ethane
CID 145264211
tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 141019688
2-[(2-methylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 53398120
tert-butyl 2-[2-[(2-methylphenyl)methylamino]ethyl]pyrrolidine-1-carboxylate
CID 107244310
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate (CID 122394924) is tert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate is Cc1ccccc1C[C@@H]1NC(=O)N(C(=O)OC(C)(C)C)[C@H]1Cc1ccccc1C.
What is the InChIKey of tert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate?
The InChIKey is MEWIMLOIMVIXAD-SFTDATJTSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16-10-6-8-12-18(16)14-20-21(15-19-13-9-7-11-17(19)2)26(22(27)25-20)23(28)29-24(3,4)5/h6-13,20-21H,14-15H2,1-5H3,(H,25,27)/t20-,21-/m0/s1.
What are the key properties of tert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate?
tert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate has a molecular weight of 394.52 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5S)-4,5-bis[(2-methylphenyl)methyl]-2-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 122394924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).