Home Halogens 1H-IMidazole, 4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-Methoxy-2-(1-Methylethoxy)phenyl]-, (4R,5S)-rel-

1H-IMidazole, 4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-Methoxy-2-(1-Methylethoxy)phenyl]-, (4R,5S)-rel-

CAS No.:
548472-49-7
Catalog Number:
AG00DB2U
Molecular Formula:
C25H24Cl2N2O2
Molecular Weight:
455.3763
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Product Description
Catalog Number:
AG00DB2U
Chemical Name:
1H-IMidazole, 4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-Methoxy-2-(1-Methylethoxy)phenyl]-, (4R,5S)-rel-
CAS Number:
548472-49-7
Molecular Formula:
C25H24Cl2N2O2
Molecular Weight:
455.3763
MDL Number:
MFCD16038957
IUPAC Name:
(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C25H24Cl2N2O2/c1-15(2)31-22-14-20(30-3)12-13-21(22)25-28-23(16-4-8-18(26)9-5-16)24(29-25)17-6-10-19(27)11-7-17/h4-15,23-24H,1-3H3,(H,28,29)/t23-,24+
InChI Key:
YRGSRFXZNYCJNK-PSWAGMNNSA-N
SMILES:
COc1ccc(c(c1)OC(C)C)C1=N[C@H]([C@H](N1)c1ccc(cc1)Cl)c1ccc(cc1)Cl
Properties
Complexity:
600  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
454.121g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
455.379g/mol
Monoisotopic Mass:
454.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  
Properties