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920119-03-5 | 2-{[2-(3,5-dimethylphenoxy)ethyl]thio}-1H-benzimidazole
CAS No: 920119-03-5 Catalog No: AG00JDSH MDL No:MFCD07967930
Product Description
Catalog Number:
AG00JDSH
Chemical Name:
2-{[2-(3,5-dimethylphenoxy)ethyl]thio}-1H-benzimidazole
CAS Number:
920119-03-5
Molecular Formula:
C17H18N2OS
Molecular Weight:
298.4026
MDL Number:
MFCD07967930
IUPAC Name:
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1H-benzimidazole
InChI:
InChI=1S/C17H18N2OS/c1-12-9-13(2)11-14(10-12)20-7-8-21-17-18-15-5-3-4-6-16(15)19-17/h3-6,9-11H,7-8H2,1-2H3,(H,18,19)
InChI Key:
NSSAGHMSTKHAFD-UHFFFAOYSA-N
SMILES:
Cc1cc(OCCSc2nc3c([nH]2)cccc3)cc(c1)C
Properties
Complexity:
318
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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