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Home > Imidazoles > 825615-97-2
825615-97-2 | Benzeneacetamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-
CAS No: 825615-97-2 Catalog No: AG004YOP MDL No:
Product Description
Catalog Number:
AG004YOP
Chemical Name:
Benzeneacetamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-
CAS Number:
825615-97-2
Molecular Formula:
C18H15N5O
Molecular Weight:
317.3446
IUPAC Name:
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylacetamide
InChI:
InChI=1S/C18H15N5O/c24-16(10-12-6-2-1-3-7-12)20-15-11-19-23-17(15)18-21-13-8-4-5-9-14(13)22-18/h1-9,11H,10H2,(H,19,23)(H,20,24)(H,21,22)
InChI Key:
FRSIQHGETTUIOM-UHFFFAOYSA-N
SMILES:
O=C(Nc1c[nH]nc1c1nc2c([nH]1)cccc2)Cc1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.128g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
317.352g/mol
Monoisotopic Mass:
317.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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