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824394-57-2 | 1H-Benzimidazole, 2-[2-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-
CAS No: 824394-57-2 Catalog No: AG005B4V MDL No:
Product Description
Catalog Number:
AG005B4V
Chemical Name:
1H-Benzimidazole, 2-[2-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-
CAS Number:
824394-57-2
Molecular Formula:
C18H16N4
Molecular Weight:
288.3464
IUPAC Name:
2-[2-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]-1H-benzimidazole
InChI:
InChI=1S/C18H16N4/c1-11-12(2)20-17(19-11)13-7-3-4-8-14(13)18-21-15-9-5-6-10-16(15)22-18/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChI Key:
DUVSGSHFGWUNFD-UHFFFAOYSA-N
SMILES:
Cc1nc([nH]c1C)c1ccccc1c1nc2c([nH]1)cccc2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.354g/mol
Monoisotopic Mass:
288.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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