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Home > Imidazoles > 892201-19-3
892201-19-3 | 2-{[2-(2,5-dimethylphenoxy)ethyl]thio}-1H-benzimidazole
CAS No: 892201-19-3 Catalog No: AG00JDSG MDL No:MFCD05369374
Product Description
Catalog Number:
AG00JDSG
Chemical Name:
2-{[2-(2,5-dimethylphenoxy)ethyl]thio}-1H-benzimidazole
CAS Number:
892201-19-3
Molecular Formula:
C17H18N2OS
Molecular Weight:
298.4026
MDL Number:
MFCD05369374
IUPAC Name:
2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-1H-benzimidazole
InChI:
InChI=1S/C17H18N2OS/c1-12-7-8-13(2)16(11-12)20-9-10-21-17-18-14-5-3-4-6-15(14)19-17/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChI Key:
BFBBPEYMZZKULI-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)OCCSc1nc2c([nH]1)cccc2)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.404g/mol
Monoisotopic Mass:
298.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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