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(4S,5S)-1,3-Dimethyl-4,5-diphenyl-2-[(R)-1-benzyl-2-hydroxyethylimino]imidazolidine , CAS No.210468-90-9
Discover (4S,5S)-1,3-Dimethyl-4,5-diphenyl-2-[(R)-1-benzyl-2-hydroxyethylimino]imidazolidine by Aladdin Scientific in for only $355.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
DTXSID10469321 | D2899 | Benzenepropanol, beta-[[(4S,5S)-1,3-dimethyl-4,5-diphenyl-2-imidazolidinylidene]amino]-, (betaR)- | (2R)-2-{[(4S,5S)-1,3-Dimethyl-4,5-diphenylimidazolidin-2-ylidene]amino}-3-phenylpropan-1-ol | AS-74419 | (4S,5S)-1,3-Dimethyl-4,5-
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Stilbenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Stilbenes
Alternative Parents
Phenylimidazolidines Amphetamines and derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Stilbene - Phenylimidazolidine - Amphetamine or derivatives - Monocyclic benzene moiety - Benzenoid - Imidazolidine - Guanidine - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboximidamide - Azacycle - Organic 1,3-dipolar compound - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(2R)-2-[[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene]amino]-3-phenylpropan-1-ol
INCHI
InChI=1S/C26H29N3O/c1-28-24(21-14-8-4-9-15-21)25(22-16-10-5-11-17-22)29(2)26(28)27-23(19-30)18-20-12-6-3-7-13-20/h3-17,23-25,30H,18-19H2,1-2H3/t23-,24+,25+/m1/s1
InChIKey
RAFFEHDNCQXIQG-DSITVLBTSA-N
Smiles
CN1C(C(N(C1=NC(CC2=CC=CC=C2)CO)C)C3=CC=CC=C3)C4=CC=CC=C4
Isomeric SMILES
CN1[C@H]([C@@H](N(C1=N[C@H](CC2=CC=CC=C2)CO)C)C3=CC=CC=C3)C4=CC=CC=C4
PubChem CID
11603697
Molecular Weight
399.53
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
399.500 g/mol
XLogP3
4.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
399.231 Da
Monoisotopic Mass
399.231 Da
Topological Polar Surface Area
39.100 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
514.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
3
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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