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Home > Imidazoles > 825617-70-7
825617-70-7 | Benzamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-
CAS No: 825617-70-7 Catalog No: AG00540O MDL No:
Product Description
Catalog Number:
AG00540O
Chemical Name:
Benzamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxy-
CAS Number:
825617-70-7
Molecular Formula:
C19H17N5O2
Molecular Weight:
347.3706
IUPAC Name:
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-ethoxybenzamide
InChI:
InChI=1S/C19H17N5O2/c1-2-26-16-10-6-3-7-12(16)19(25)23-15-11-20-24-17(15)18-21-13-8-4-5-9-14(13)22-18/h3-11H,2H2,1H3,(H,20,24)(H,21,22)(H,23,25)
InChI Key:
BAUBUKQZKQNYBZ-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1C(=O)Nc1c[nH]nc1c1nc2c([nH]1)cccc2
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.138g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
347.378g/mol
Monoisotopic Mass:
347.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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