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89481-12-9 | 1H-Benzimidazole, 4,5-dimethyl-2-(2-pyridinyl)-
CAS No: 89481-12-9 Catalog No: AG0042E5 MDL No:
Product Description
Catalog Number:
AG0042E5
Chemical Name:
1H-Benzimidazole, 4,5-dimethyl-2-(2-pyridinyl)-
CAS Number:
89481-12-9
Molecular Formula:
C14H13N3
Molecular Weight:
223.2731
IUPAC Name:
4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole
InChI:
InChI=1S/C14H13N3/c1-9-6-7-11-13(10(9)2)17-14(16-11)12-5-3-4-8-15-12/h3-8H,1-2H3,(H,16,17)
InChI Key:
NEKDBGWOLPKQKH-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1C)nc([nH]2)c1ccccn1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.279g/mol
Monoisotopic Mass:
223.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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