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824394-94-7 | 1H-Benzimidazole, 5-(1,1-dimethylethyl)-2-[2-(1H-imidazol-2-yl)phenyl]-
CAS No: 824394-94-7 Catalog No: AG005B4R MDL No:
Product Description
Catalog Number:
AG005B4R
Chemical Name:
1H-Benzimidazole, 5-(1,1-dimethylethyl)-2-[2-(1H-imidazol-2-yl)phenyl]-
CAS Number:
824394-94-7
Molecular Formula:
C20H20N4
Molecular Weight:
316.3996
IUPAC Name:
6-tert-butyl-2-[2-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole
InChI:
InChI=1S/C20H20N4/c1-20(2,3)13-8-9-16-17(12-13)24-19(23-16)15-7-5-4-6-14(15)18-21-10-11-22-18/h4-12H,1-3H3,(H,21,22)(H,23,24)
InChI Key:
VWVVULYYVAPAAK-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)nc([nH]2)c1ccccc1c1ncc[nH]1)(C)C
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.408g/mol
Monoisotopic Mass:
316.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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