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178979-87-8 | 1H-Imidazole-2-methanamine, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(2-pyridinylmethyl)-
CAS No: 178979-87-8 Catalog No: AG0026LD MDL No:
Product Description
Catalog Number:
AG0026LD
Chemical Name:
1H-Imidazole-2-methanamine, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(2-pyridinylmethyl)-
CAS Number:
178979-87-8
Molecular Formula:
C19H20Cl2N4S
Molecular Weight:
407.3599
IUPAC Name:
[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-2-yl]methanamine
InChI:
InChI=1S/C19H20Cl2N4S/c1-12(2)18-19(26-16-8-13(20)7-14(21)9-16)25(17(10-22)24-18)11-15-5-3-4-6-23-15/h3-9,12H,10-11,22H2,1-2H3
InChI Key:
XIONYBXYOGIOPL-UHFFFAOYSA-N
SMILES:
NCc1nc(c(n1Cc1ccccn1)Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.079g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.357g/mol
Monoisotopic Mass:
406.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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