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138571-66-1 | 1H-Imidazole, 2,2'-[1,5-pentanediylbis(oxy-4,1-phenylene)]bis[1-methyl- (9CI)
CAS No: 138571-66-1 Catalog No: AG0018S5 MDL No:
Product Description
Catalog Number:
AG0018S5
Chemical Name:
1H-Imidazole, 2,2'-[1,5-pentanediylbis(oxy-4,1-phenylene)]bis[1-methyl- (9CI)
CAS Number:
138571-66-1
Molecular Formula:
C25H28N4O2
Molecular Weight:
416.5154
IUPAC Name:
1-methyl-2-[4-[5-[4-(1-methylimidazol-2-yl)phenoxy]pentoxy]phenyl]imidazole
InChI:
InChI=1S/C25H28N4O2/c1-28-16-14-26-24(28)20-6-10-22(11-7-20)30-18-4-3-5-19-31-23-12-8-21(9-13-23)25-27-15-17-29(25)2/h6-17H,3-5,18-19H2,1-2H3
InChI Key:
LTLBITJBNYSFHV-UHFFFAOYSA-N
SMILES:
Cn1ccnc1c1ccc(cc1)OCCCCCOc1ccc(cc1)c1nccn1C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.221g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.525g/mol
Monoisotopic Mass:
416.221g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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