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Home > Imidazoles > 807610-03-3
807610-03-3 | Benzonitrile, 4-(6-methoxy-1-phenyl-1H-benzimidazol-2-yl)-
CAS No: 807610-03-3 Catalog No: AG0058B5 MDL No:
Product Description
Catalog Number:
AG0058B5
Chemical Name:
Benzonitrile, 4-(6-methoxy-1-phenyl-1H-benzimidazol-2-yl)-
CAS Number:
807610-03-3
Molecular Formula:
C21H15N3O
Molecular Weight:
325.3633
IUPAC Name:
4-(6-methoxy-1-phenylbenzimidazol-2-yl)benzonitrile
InChI:
InChI=1S/C21H15N3O/c1-25-18-11-12-19-20(13-18)24(17-5-3-2-4-6-17)21(23-19)16-9-7-15(14-22)8-10-16/h2-13H,1H3
InChI Key:
GKLBXNDCJBDXGE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n(c1ccccc1)c(n2)c1ccc(cc1)C#N
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.371g/mol
Monoisotopic Mass:
325.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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