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Home > Imidazoles > 84782-21-8
84782-21-8 | Phenol,4-[2-(1,1-dimethylethyl)-5-(3-pyridinyl)-1H-imidazol-4-yl]-
CAS No: 84782-21-8 Catalog No: AG004XOK MDL No:
Product Description
Catalog Number:
AG004XOK
Chemical Name:
Phenol,4-[2-(1,1-dimethylethyl)-5-(3-pyridinyl)-1H-imidazol-4-yl]-
CAS Number:
84782-21-8
Molecular Formula:
C18H19N3O
Molecular Weight:
293.3630
IUPAC Name:
4-(2-tert-butyl-4-pyridin-3-yl-1H-imidazol-5-yl)phenol
InChI:
InChI=1S/C18H19N3O/c1-18(2,3)17-20-15(12-6-8-14(22)9-7-12)16(21-17)13-5-4-10-19-11-13/h4-11,22H,1-3H3,(H,20,21)
InChI Key:
MZGWIQCWWSGSRK-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1[nH]c(nc1c1cccnc1)C(C)(C)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.37g/mol
Monoisotopic Mass:
293.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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