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Home > Imidazoles > 92309-56-3
92309-56-3 | 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-methyl-4-piperidinyl)-
CAS No: 92309-56-3 Catalog No: AG006KPS MDL No:
Product Description
Catalog Number:
AG006KPS
Chemical Name:
2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-methyl-4-piperidinyl)-
CAS Number:
92309-56-3
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
IUPAC Name:
3-(3-methylpiperidin-4-yl)-1H-benzimidazol-2-one
InChI:
InChI=1S/C13H17N3O/c1-9-8-14-7-6-11(9)16-12-5-3-2-4-10(12)15-13(16)17/h2-5,9,11,14H,6-8H2,1H3,(H,15,17)
InChI Key:
KFHJGGBPUGTYQD-UHFFFAOYSA-N
SMILES:
CC1CNCCC1n1c(=O)[nH]c2c1cccc2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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