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Home > Imidazoles > 72517-43-2
72517-43-2 | 1H-Imidazole, 2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-
CAS No: 72517-43-2 Catalog No: AG0064Y6 MDL No:
Product Description
Catalog Number:
AG0064Y6
Chemical Name:
1H-Imidazole, 2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-
CAS Number:
72517-43-2
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C12H16N2O2/c1-15-10-5-9(6-11(8-10)16-2)7-12-13-3-4-14-12/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChI Key:
BTLGDIONHJMVJV-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)CC1=NCCN1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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