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76145-64-7 | 3H-Naphth[1,2-d]imidazole, 2-(4-methoxy-3-methylphenyl)-3-methyl-
CAS No: 76145-64-7 Catalog No: AG005RSX MDL No:
Product Description
Catalog Number:
AG005RSX
Chemical Name:
3H-Naphth[1,2-d]imidazole, 2-(4-methoxy-3-methylphenyl)-3-methyl-
CAS Number:
76145-64-7
Molecular Formula:
C20H18N2O
Molecular Weight:
302.3697
IUPAC Name:
2-(4-methoxy-3-methylphenyl)-3-methylbenzo[e]benzimidazole
InChI:
InChI=1S/C20H18N2O/c1-13-12-15(9-11-18(13)23-3)20-21-19-16-7-5-4-6-14(16)8-10-17(19)22(20)2/h4-12H,1-3H3
InChI Key:
WKRZBFPZOQOGCX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C)c1nc2c(n1C)ccc1c2cccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.142g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.377g/mol
Monoisotopic Mass:
302.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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