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61719-58-2 | 1-benzyl-1H,2H,3H-imidazo[4,5-c]pyridin-2-one
CAS No: 61719-58-2 Catalog No: AG01AKVR MDL No:MFCD00182366
Product Description
Catalog Number:
AG01AKVR
Chemical Name:
1-benzyl-1H,2H,3H-imidazo[4,5-c]pyridin-2-one
CAS Number:
61719-58-2
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
MDL Number:
MFCD00182366
IUPAC Name:
1-benzyl-3H-imidazo[4,5-c]pyridin-2-one
InChI:
InChI=1S/C13H11N3O/c17-13-15-11-8-14-7-6-12(11)16(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,17)
InChI Key:
UGUBTPDUZBYMOL-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(n1Cc1ccccc1)ccnc2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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