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88842-28-8 | 3H-Naphth[1,2-d]imidazole, 2-(4-methoxyphenyl)-3-(2-methylpropyl)-
CAS No: 88842-28-8 Catalog No: AG004AIF MDL No:
Product Description
Catalog Number:
AG004AIF
Chemical Name:
3H-Naphth[1,2-d]imidazole, 2-(4-methoxyphenyl)-3-(2-methylpropyl)-
CAS Number:
88842-28-8
Molecular Formula:
C22H22N2O
Molecular Weight:
330.4229
IUPAC Name:
2-(4-methoxyphenyl)-3-(2-methylpropyl)benzo[e]benzimidazole
InChI:
InChI=1S/C22H22N2O/c1-15(2)14-24-20-13-10-16-6-4-5-7-19(16)21(20)23-22(24)17-8-11-18(25-3)12-9-17/h4-13,15H,14H2,1-3H3
InChI Key:
TWAHIBJERHDNTJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2c(n1CC(C)C)ccc1c2cccc1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.173g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.431g/mol
Monoisotopic Mass:
330.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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