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76145-78-3 | 3H-Naphth[1,2-d]imidazole, 3-butyl-2-(4-methoxyphenyl)-
CAS No: 76145-78-3 Catalog No: AG008OGB MDL No:
Product Description
Catalog Number:
AG008OGB
Chemical Name:
3H-Naphth[1,2-d]imidazole, 3-butyl-2-(4-methoxyphenyl)-
CAS Number:
76145-78-3
Molecular Formula:
C22H22N2O
Molecular Weight:
330.4229
IUPAC Name:
3-butyl-2-(4-methoxyphenyl)benzo[e]benzimidazole
InChI:
InChI=1S/C22H22N2O/c1-3-4-15-24-20-14-11-16-7-5-6-8-19(16)21(20)23-22(24)17-9-12-18(25-2)13-10-17/h5-14H,3-4,15H2,1-2H3
InChI Key:
GQUIPPUXHWXSOT-UHFFFAOYSA-N
SMILES:
CCCCn1c(nc2c1ccc1c2cccc1)c1ccc(cc1)OC
Properties
Complexity:
420
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:
5
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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