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139478-00-5

139478-00-5 | Phenol, 4-[4,5-bis(4-aminophenyl)-1H-imidazol-2-yl]-2,6-dimethoxy-

CAS No: 139478-00-5 Catalog No: AG001B36 MDL No:

Product Description

Catalog Number:
AG001B36
Chemical Name:
Phenol, 4-[4,5-bis(4-aminophenyl)-1H-imidazol-2-yl]-2,6-dimethoxy-
CAS Number:
139478-00-5
Molecular Formula:
C23H22N4O3
Molecular Weight:
402.4458
IUPAC Name:
4-[4,5-bis(4-aminophenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
InChI:
InChI=1S/C23H22N4O3/c1-29-18-11-15(12-19(30-2)22(18)28)23-26-20(13-3-7-16(24)8-4-13)21(27-23)14-5-9-17(25)10-6-14/h3-12,28H,24-25H2,1-2H3,(H,26,27)
InChI Key:
AMNBGIALUSXAJU-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)OC)c1[nH]c(c(n1)c1ccc(cc1)N)c1ccc(cc1)N

Properties

Complexity:
523  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.169g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
402.454g/mol
Monoisotopic Mass:
402.169g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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