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Home > Imidazoles > 89469-43-2
89469-43-2 | 1H-Benzimidazole-5-carbonitrile, 2-(4-hydroxy-2-methoxyphenyl)-
CAS No: 89469-43-2 Catalog No: AG00883O MDL No:
Product Description
Catalog Number:
AG00883O
Chemical Name:
1H-Benzimidazole-5-carbonitrile, 2-(4-hydroxy-2-methoxyphenyl)-
CAS Number:
89469-43-2
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
IUPAC Name:
2-(4-hydroxy-2-methoxyphenyl)-3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C15H11N3O2/c1-20-14-7-10(19)3-4-11(14)15-17-12-5-2-9(8-16)6-13(12)18-15/h2-7,19H,1H3,(H,17,18)
InChI Key:
MEMKMTVQHIKZMC-UHFFFAOYSA-N
SMILES:
COc1cc(O)ccc1c1nc2c([nH]1)ccc(c2)C#N
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.272g/mol
Monoisotopic Mass:
265.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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