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Home > Imidazoles > 81288-62-2
81288-62-2 | 3H-Naphth[1,2-d]imidazole, 3-ethenyl-2-(4-methoxyphenyl)-
CAS No: 81288-62-2 Catalog No: AG005LEE MDL No:
Product Description
Catalog Number:
AG005LEE
Chemical Name:
3H-Naphth[1,2-d]imidazole, 3-ethenyl-2-(4-methoxyphenyl)-
CAS Number:
81288-62-2
Molecular Formula:
C20H16N2O
Molecular Weight:
300.3538
IUPAC Name:
3-ethenyl-2-(4-methoxyphenyl)benzo[e]benzimidazole
InChI:
InChI=1S/C20H16N2O/c1-3-22-18-13-10-14-6-4-5-7-17(14)19(18)21-20(22)15-8-11-16(23-2)12-9-15/h3-13H,1H2,2H3
InChI Key:
KGJPPBCQCUWJLS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2c(n1C=C)ccc1c2cccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.361g/mol
Monoisotopic Mass:
300.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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