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Home > Imidazoles > 63959-26-2
63959-26-2 | 2H-BENZIMIDAZOL-2-ONE, 1,3-DIHYDRO-1-(1-METHYL-4-PIPERIDINYL)-
CAS No: 63959-26-2 Catalog No: AG01DWKC MDL No:MFCD18800930
Product Description
Catalog Number:
AG01DWKC
Chemical Name:
2H-BENZIMIDAZOL-2-ONE, 1,3-DIHYDRO-1-(1-METHYL-4-PIPERIDINYL)-
CAS Number:
63959-26-2
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
MDL Number:
MFCD18800930
IUPAC Name:
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one
InChI:
InChI=1S/C13H17N3O/c1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)14-13(16)17/h2-5,10H,6-9H2,1H3,(H,14,17)
InChI Key:
KWKKMAWHMMLZRR-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
Properties
Complexity:
299
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:
1
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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