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82326-43-0 | 1H-Benzimidazole, 2-butyl-5,6-dimethyl-
CAS No: 82326-43-0 Catalog No: AG004YOH MDL No:
Product Description
Catalog Number:
AG004YOH
Chemical Name:
1H-Benzimidazole, 2-butyl-5,6-dimethyl-
CAS Number:
82326-43-0
Molecular Formula:
C13H18N2
Molecular Weight:
202.2954
IUPAC Name:
2-butyl-5,6-dimethyl-1H-benzimidazole
InChI:
InChI=1S/C13H18N2/c1-4-5-6-13-14-11-7-9(2)10(3)8-12(11)15-13/h7-8H,4-6H2,1-3H3,(H,14,15)
InChI Key:
JIQLFCSJXKTQKP-UHFFFAOYSA-N
SMILES:
CCCCc1[nH]c2c(n1)cc(c(c2)C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.301g/mol
Monoisotopic Mass:
202.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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