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82326-46-3 | 2-[(3,4-dimethylphenoxy)methyl]-1H-benzimidazole
CAS No: 82326-46-3 Catalog No: AG00J8FT MDL No:MFCD11108651
Product Description
Catalog Number:
AG00J8FT
Chemical Name:
2-[(3,4-dimethylphenoxy)methyl]-1H-benzimidazole
CAS Number:
82326-46-3
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
MDL Number:
MFCD11108651
IUPAC Name:
2-[(3,4-dimethylphenoxy)methyl]-1H-benzimidazole
InChI:
InChI=1S/C16H16N2O/c1-11-7-8-13(9-12(11)2)19-10-16-17-14-5-3-4-6-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18)
InChI Key:
UMKDQBOTXZSEJU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)OCc1nc2c([nH]1)cccc2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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