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Home > Imidazoles > 73418-58-3
73418-58-3 | 4-(1H-BENZIMIDAZOL-2-YLMETHOXY)-N'-(4-HYDROXYBENZYLIDENE)BENZOHYDRAZIDE
CAS No: 73418-58-3 Catalog No: AG005E3Z MDL No:
Product Description
Catalog Number:
AG005E3Z
Chemical Name:
4-(1H-BENZIMIDAZOL-2-YLMETHOXY)-N'-(4-HYDROXYBENZYLIDENE)BENZOHYDRAZIDE
CAS Number:
73418-58-3
Molecular Formula:
C22H18N4O3
Molecular Weight:
386.4033
IUPAC Name:
4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
InChI:
InChI=1S/C22H18N4O3/c27-17-9-5-15(6-10-17)13-23-26-22(28)16-7-11-18(12-8-16)29-14-21-24-19-3-1-2-4-20(19)25-21/h1-13,27H,14H2,(H,24,25)(H,26,28)/b23-13+
InChI Key:
YIEYSKUKGANANG-YDZHTSKRSA-N
SMILES:
Oc1ccc(cc1)C=NNC(=O)c1ccc(cc1)OCc1nc2c([nH]1)cccc2
NSC Number:
347817
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
386.138g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
386.411g/mol
Monoisotopic Mass:
386.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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