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Home > Imidazoles > 87614-25-3
87614-25-3 | Pyridine, 3-[2-(2,2-dimethoxy-1-methylethyl)-5-phenyl-1H-imidazol-4-yl]-
CAS No: 87614-25-3 Catalog No: AG004P5M MDL No:
Product Description
Catalog Number:
AG004P5M
Chemical Name:
Pyridine, 3-[2-(2,2-dimethoxy-1-methylethyl)-5-phenyl-1H-imidazol-4-yl]-
CAS Number:
87614-25-3
Molecular Formula:
C19H21N3O2
Molecular Weight:
323.3889
IUPAC Name:
3-[2-(1,1-dimethoxypropan-2-yl)-5-phenyl-1H-imidazol-4-yl]pyridine
InChI:
InChI=1S/C19H21N3O2/c1-13(19(23-2)24-3)18-21-16(14-8-5-4-6-9-14)17(22-18)15-10-7-11-20-12-15/h4-13,19H,1-3H3,(H,21,22)
InChI Key:
FYGNXVJCKAMUCH-UHFFFAOYSA-N
SMILES:
COC(C(c1nc(c([nH]1)c1ccccc1)c1cccnc1)C)OC
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.396g/mol
Monoisotopic Mass:
323.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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