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Structure

(2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone

CAS
346440-54-8
Catalog Number
ACM346440548
Category
Other Products
Molecular Weight
246.354g/mol
Molecular Formula
C15H22N2O;

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Specification

Synonyms
(2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone, 97%; 346440-54-8; ZINC25725338; (2S,5S)-5-benzyl-2-tert-butyl-3-methyl-imidazolidm-4-one; (2S,5S)-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one; (-)-(2S,5S)-5-Benzyl-2-tert-butyl-3-methylimidazolidin-4-one; (2S,5S)-5-Benzyl-2-tert-butyl-3-methyl-4-imidazolidinone; RT-005447; 5-Benzyl-2-tert-butyl-3-methyl-4-imidazolidinone, (2S,5S)-; B4138;
IUPAC Name
(2S,5S)-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one;
Canonical SMILES
CC(C)(C)C1NC(C(=O)N1C)CC2=CC=CC=C2;
InChI
InChI=1S/C15H22N2O/c1-15(2,3)14-16-12(13(18)17(14)4)10-11-8-6-5-7-9-11/h5-9,12,14,16H,10H2,1-4H3/t12-,14-/m0/s1;
InChI Key
SKHPYKHVYFTIOI-JSGCOSHPSA-N;
Complexity
302
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
246.173g/mol
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
18
Monoisotopic Mass
246.173g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
32.3A^2
UNII
8LC842A6QP
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