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825616-27-1 | Benzamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-
CAS No: 825616-27-1 Catalog No: AG004YON MDL No:
Product Description
Catalog Number:
AG004YON
Chemical Name:
Benzamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-
CAS Number:
825616-27-1
Molecular Formula:
C18H15N5O2
Molecular Weight:
333.3440
IUPAC Name:
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide
InChI:
InChI=1S/C18H15N5O2/c1-25-15-9-5-2-6-11(15)18(24)22-14-10-19-23-16(14)17-20-12-7-3-4-8-13(12)21-17/h2-10H,1H3,(H,19,23)(H,20,21)(H,22,24)
InChI Key:
XFRVVVYKJNDABR-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)Nc1c[nH]nc1c1nc2c([nH]1)cccc2
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.123g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
333.351g/mol
Monoisotopic Mass:
333.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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