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138605-31-9 | 1H-Imidazole, 2,2'-[1,4-butanediylbis(oxy-4,1-phenylene)]bis[1-methyl- (9CI)
CAS No: 138605-31-9 Catalog No: AG0018TY MDL No:
Product Description
Catalog Number:
AG0018TY
Chemical Name:
1H-Imidazole, 2,2'-[1,4-butanediylbis(oxy-4,1-phenylene)]bis[1-methyl- (9CI)
CAS Number:
138605-31-9
Molecular Formula:
C24H26N4O2
Molecular Weight:
402.4888
IUPAC Name:
1-methyl-2-[4-[4-[4-(1-methylimidazol-2-yl)phenoxy]butoxy]phenyl]imidazole
InChI:
InChI=1S/C24H26N4O2/c1-27-15-13-25-23(27)19-5-9-21(10-6-19)29-17-3-4-18-30-22-11-7-20(8-12-22)24-26-14-16-28(24)2/h5-16H,3-4,17-18H2,1-2H3
InChI Key:
OSTACPPYZZDLLO-UHFFFAOYSA-N
SMILES:
Cn1ccnc1c1ccc(cc1)OCCCCOc1ccc(cc1)c1nccn1C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.206g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.498g/mol
Monoisotopic Mass:
402.206g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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