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319489-19-5 | 2-{[2-(2-Methoxyphenoxy)ethyl]thio}-1H-benzimidazole
CAS No: 319489-19-5 Catalog No: AG00I61Y MDL No:MFCD00640536
Product Description
Catalog Number:
AG00I61Y
Chemical Name:
2-{[2-(2-Methoxyphenoxy)ethyl]thio}-1H-benzimidazole
CAS Number:
319489-19-5
Molecular Formula:
C16H16N2O2S
Molecular Weight:
300.3754
MDL Number:
MFCD00640536
IUPAC Name:
2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
InChI:
InChI=1S/C16H16N2O2S/c1-19-14-8-4-5-9-15(14)20-10-11-21-16-17-12-6-2-3-7-13(12)18-16/h2-9H,10-11H2,1H3,(H,17,18)
InChI Key:
MWPZHSQYGBSDAP-UHFFFAOYSA-N
SMILES:
COc1ccccc1OCCSc1nc2c([nH]1)cccc2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.376g/mol
Monoisotopic Mass:
300.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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