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178979-59-4 | 1H-Imidazole-2-methanamine, 1-butyl-5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-
CAS No: 178979-59-4 Catalog No: AG0026KK MDL No:
Product Description
Catalog Number:
AG0026KK
Chemical Name:
1H-Imidazole-2-methanamine, 1-butyl-5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-
CAS Number:
178979-59-4
Molecular Formula:
C17H23Cl2N3S
Molecular Weight:
372.3556
IUPAC Name:
[1-butyl-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanamine
InChI:
InChI=1S/C17H23Cl2N3S/c1-4-5-6-22-15(10-20)21-16(11(2)3)17(22)23-14-8-12(18)7-13(19)9-14/h7-9,11H,4-6,10,20H2,1-3H3
InChI Key:
SCMURRORVNXUPJ-UHFFFAOYSA-N
SMILES:
CCCCn1c(CN)nc(c1Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.099g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.352g/mol
Monoisotopic Mass:
371.099g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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