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Home > Imidazoles > 68165-33-3
68165-33-3 | 1H-Imidazole, 4,4'-(phenylmethylene)bis[5-methyl-2-undecyl-
CAS No: 68165-33-3 Catalog No: AG005LXY MDL No:
Product Description
Catalog Number:
AG005LXY
Chemical Name:
1H-Imidazole, 4,4'-(phenylmethylene)bis[5-methyl-2-undecyl-
CAS Number:
68165-33-3
Molecular Formula:
C37H60N4
Molecular Weight:
560.8991
IUPAC Name:
5-methyl-4-[(5-methyl-2-undecyl-1H-imidazol-4-yl)-phenylmethyl]-2-undecyl-1H-imidazole
InChI:
InChI=1S/C37H60N4/c1-5-7-9-11-13-15-17-19-24-28-33-38-30(3)36(40-33)35(32-26-22-21-23-27-32)37-31(4)39-34(41-37)29-25-20-18-16-14-12-10-8-6-2/h21-23,26-27,35H,5-20,24-25,28-29H2,1-4H3,(H,38,40)(H,39,41)
InChI Key:
KKMWMSACKVWODK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1nc(c([nH]1)C)C(c1nc([nH]c1C)CCCCCCCCCCC)c1ccccc1
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
560.482g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
560.915g/mol
Monoisotopic Mass:
560.482g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.5
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