Home Halogens 4'-[(2-Butyl-4-chloro-5-hydroxymethyl-1h-imidazol-1-yl)methyl]-1,1'-biphenyl-2-carbonitrile

4'-[(2-Butyl-4-chloro-5-hydroxymethyl-1h-imidazol-1-yl)methyl]-1,1'-biphenyl-2-carbonitrile

CAS No.:
114772-55-3
Catalog Number:
AG000F6W
Molecular Formula:
C22H22ClN3O
Molecular Weight:
379.8826
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$60
- +
25mg
98%(HPLC)
In Stock USA
United States
$144
- +
100mg
98%(HPLC)
In Stock USA
United States
$295
- +
Product Description
Catalog Number:
AG000F6W
Chemical Name:
4'-[(2-Butyl-4-chloro-5-hydroxymethyl-1h-imidazol-1-yl)methyl]-1,1'-biphenyl-2-carbonitrile
CAS Number:
114772-55-3
Molecular Formula:
C22H22ClN3O
Molecular Weight:
379.8826
MDL Number:
MFCD16619233
IUPAC Name:
2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzonitrile
InChI:
InChI=1S/C22H22ClN3O/c1-2-3-8-21-25-22(23)20(15-27)26(21)14-16-9-11-17(12-10-16)19-7-5-4-6-18(19)13-24/h4-7,9-12,27H,2-3,8,14-15H2,1H3
InChI Key:
FGCNIDUBRIVYBP-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1C#N)CO)Cl
EC Number:
601-328-2
Properties
Complexity:
499  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.145g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
379.888g/mol
Monoisotopic Mass:
379.145g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties