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Home > Imidazoles > 677274-36-1
677274-36-1 | Benzamide, N-[5-cyano-1-(phenylmethyl)-1H-imidazol-4-yl]-
CAS No: 677274-36-1 Catalog No: AG006K0Q MDL No:
Product Description
Catalog Number:
AG006K0Q
Chemical Name:
Benzamide, N-[5-cyano-1-(phenylmethyl)-1H-imidazol-4-yl]-
CAS Number:
677274-36-1
Molecular Formula:
C18H14N4O
Molecular Weight:
302.3300
IUPAC Name:
N-(1-benzyl-5-cyanoimidazol-4-yl)benzamide
InChI:
InChI=1S/C18H14N4O/c19-11-16-17(21-18(23)15-9-5-2-6-10-15)20-13-22(16)12-14-7-3-1-4-8-14/h1-10,13H,12H2,(H,21,23)
InChI Key:
VCTVGBIRWQEDDA-UHFFFAOYSA-N
SMILES:
N#Cc1n(cnc1NC(=O)c1ccccc1)Cc1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.337g/mol
Monoisotopic Mass:
302.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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