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Home > Imidazoles > 825615-93-8
825615-93-8 | Acetamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-
CAS No: 825615-93-8 Catalog No: AG008KLX MDL No:
Product Description
Catalog Number:
AG008KLX
Chemical Name:
Acetamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-
CAS Number:
825615-93-8
Molecular Formula:
C12H11N5O
Molecular Weight:
241.2486
IUPAC Name:
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide
InChI:
InChI=1S/C12H11N5O/c1-7(18)14-10-6-13-17-11(10)12-15-8-4-2-3-5-9(8)16-12/h2-6H,1H3,(H,13,17)(H,14,18)(H,15,16)
InChI Key:
LEFKZSWCBZBDLU-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1c[nH]nc1c1nc2c([nH]1)cccc2
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
241.254g/mol
Monoisotopic Mass:
241.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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