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Home > Imidazoles > 178980-00-2
178980-00-2 | 1H-Imidazole-2-methanol, 5-[(3,5-dimethylphenyl)sulfonyl]-1-methyl-4-(1-methylethyl)-
CAS No: 178980-00-2 Catalog No: AG0026MD MDL No:
Product Description
Catalog Number:
AG0026MD
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dimethylphenyl)sulfonyl]-1-methyl-4-(1-methylethyl)-
CAS Number:
178980-00-2
Molecular Formula:
C16H22N2O3S
Molecular Weight:
322.4225
IUPAC Name:
[5-(3,5-dimethylphenyl)sulfonyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
InChI:
InChI=1S/C16H22N2O3S/c1-10(2)15-16(18(5)14(9-19)17-15)22(20,21)13-7-11(3)6-12(4)8-13/h6-8,10,19H,9H2,1-5H3
InChI Key:
ODCOINHOONMDRD-UHFFFAOYSA-N
SMILES:
OCc1nc(c(n1C)S(=O)(=O)c1cc(C)cc(c1)C)C(C)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.135g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.423g/mol
Monoisotopic Mass:
322.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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