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824427-58-9 | 1H-Benzimidazole, 2-(2,2-dimethylpropyl)-5-methoxy-
CAS No: 824427-58-9 Catalog No: AG005130 MDL No:
Product Description
Catalog Number:
AG005130
Chemical Name:
1H-Benzimidazole, 2-(2,2-dimethylpropyl)-5-methoxy-
CAS Number:
824427-58-9
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
2-(2,2-dimethylpropyl)-6-methoxy-1H-benzimidazole
InChI:
InChI=1S/C13H18N2O/c1-13(2,3)8-12-14-10-6-5-9(16-4)7-11(10)15-12/h5-7H,8H2,1-4H3,(H,14,15)
InChI Key:
CPDLWNVGVNVBLL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc([nH]2)CC(C)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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