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178979-76-5 | 1H-Imidazole-2-methanamine, 5-[(3,5-dichlorophenyl)thio]-N,1-dimethyl-4-(1-methylethyl)-
CAS No: 178979-76-5 Catalog No: AG0026LK MDL No:
Product Description
Catalog Number:
AG0026LK
Chemical Name:
1H-Imidazole-2-methanamine, 5-[(3,5-dichlorophenyl)thio]-N,1-dimethyl-4-(1-methylethyl)-
CAS Number:
178979-76-5
Molecular Formula:
C15H19Cl2N3S
Molecular Weight:
344.3025
IUPAC Name:
1-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]-N-methylmethanamine
InChI:
InChI=1S/C15H19Cl2N3S/c1-9(2)14-15(20(4)13(19-14)8-18-3)21-12-6-10(16)5-11(17)7-12/h5-7,9,18H,8H2,1-4H3
InChI Key:
VNUTYLTZQZWNSC-UHFFFAOYSA-N
SMILES:
CNCc1nc(c(n1C)Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.298g/mol
Monoisotopic Mass:
343.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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