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Home > Imidazoles > 880881-26-5
880881-26-5 | 2H-Benzimidazol-2-one, 1,3-dihydro-1-(5-oxohexyl)-
CAS No: 880881-26-5 Catalog No: AG008CPJ MDL No:
Product Description
Catalog Number:
AG008CPJ
Chemical Name:
2H-Benzimidazol-2-one, 1,3-dihydro-1-(5-oxohexyl)-
CAS Number:
880881-26-5
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
3-(5-oxohexyl)-1H-benzimidazol-2-one
InChI:
InChI=1S/C13H16N2O2/c1-10(16)6-4-5-9-15-12-8-3-2-7-11(12)14-13(15)17/h2-3,7-8H,4-6,9H2,1H3,(H,14,17)
InChI Key:
ZIEVZRPFZVJFQI-UHFFFAOYSA-N
SMILES:
CC(=O)CCCCn1c(=O)[nH]c2c1cccc2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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