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76145-50-1 | 3H-Naphth[1,2-d]imidazole, 2-(4-methoxyphenyl)-3-methyl-
CAS No: 76145-50-1 Catalog No: AG0057P7 MDL No:
Product Description
Catalog Number:
AG0057P7
Chemical Name:
3H-Naphth[1,2-d]imidazole, 2-(4-methoxyphenyl)-3-methyl-
CAS Number:
76145-50-1
Molecular Formula:
C19H16N2O
Molecular Weight:
288.3431
IUPAC Name:
2-(4-methoxyphenyl)-3-methylbenzo[e]benzimidazole
InChI:
InChI=1S/C19H16N2O/c1-21-17-12-9-13-5-3-4-6-16(13)18(17)20-19(21)14-7-10-15(22-2)11-8-14/h3-12H,1-2H3
InChI Key:
ZVVNLJISKJVWAU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2c(n1C)ccc1c2cccc1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.35g/mol
Monoisotopic Mass:
288.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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