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Home > Imidazoles > 1571060-90-6
1571060-90-6 | Cyclobutanone, 3-[2-[6-(1,1-dimethylethyl)-1H-benzimidazol-2-yl]ethyl]-
CAS No: 1571060-90-6 Catalog No: AG001P7Z MDL No:
Product Description
Catalog Number:
AG001P7Z
Chemical Name:
Cyclobutanone, 3-[2-[6-(1,1-dimethylethyl)-1H-benzimidazol-2-yl]ethyl]-
CAS Number:
1571060-90-6
Molecular Formula:
C17H22N2O
Molecular Weight:
270.3694
IUPAC Name:
3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutan-1-one
InChI:
InChI=1S/C17H22N2O/c1-17(2,3)12-5-6-14-15(10-12)19-16(18-14)7-4-11-8-13(20)9-11/h5-6,10-11H,4,7-9H2,1-3H3,(H,18,19)
InChI Key:
HAXKWTDYQVVUFB-UHFFFAOYSA-N
SMILES:
O=C1CC(C1)CCc1nc2c([nH]1)cc(cc2)C(C)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.376g/mol
Monoisotopic Mass:
270.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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