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178980-51-3 | 1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-[(2-methyl-3-pyridinyl)methyl]-
CAS No: 178980-51-3 Catalog No: AG0026MK MDL No:
Product Description
Catalog Number:
AG0026MK
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-[(2-methyl-3-pyridinyl)methyl]-
CAS Number:
178980-51-3
Molecular Formula:
C20H21Cl2N3OS
Molecular Weight:
422.3712
IUPAC Name:
[5-(3,5-dichlorophenyl)sulfanyl-1-[(2-methylpyridin-3-yl)methyl]-4-propan-2-ylimidazol-2-yl]methanol
InChI:
InChI=1S/C20H21Cl2N3OS/c1-12(2)19-20(27-17-8-15(21)7-16(22)9-17)25(18(11-26)24-19)10-14-5-4-6-23-13(14)3/h4-9,12,26H,10-11H2,1-3H3
InChI Key:
NELPRYHMLUDWRD-UHFFFAOYSA-N
SMILES:
OCc1nc(c(n1Cc1cccnc1C)Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.078g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.368g/mol
Monoisotopic Mass:
421.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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