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Home > Imidazoles > 114797-97-6
114797-97-6 | 2H-Benzimidazol-2-one, 1,3-dihydro-1-(4-pyridinylmethyl)-
CAS No: 114797-97-6 Catalog No: AG000F86 MDL No:
Product Description
Catalog Number:
AG000F86
Chemical Name:
2H-Benzimidazol-2-one, 1,3-dihydro-1-(4-pyridinylmethyl)-
CAS Number:
114797-97-6
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
IUPAC Name:
3-(pyridin-4-ylmethyl)-1H-benzimidazol-2-one
InChI:
InChI=1S/C13H11N3O/c17-13-15-11-3-1-2-4-12(11)16(13)9-10-5-7-14-8-6-10/h1-8H,9H2,(H,15,17)
InChI Key:
FUFVZFFZGWWOLS-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(n1Cc1ccncc1)cccc2
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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