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Home > Imidazoles > 73418-61-8
73418-61-8 | 4-(1H-BENZIMIDAZOL-2-YLMETHOXY)-N'-[(1E)-(4-METHOXYPHENYL)METHYLENE]BENZOHYDRAZIDE
CAS No: 73418-61-8 Catalog No: AG0060GS MDL No:
Product Description
Catalog Number:
AG0060GS
Chemical Name:
4-(1H-BENZIMIDAZOL-2-YLMETHOXY)-N'-[(1E)-(4-METHOXYPHENYL)METHYLENE]BENZOHYDRAZIDE
CAS Number:
73418-61-8
Molecular Formula:
C23H20N4O3
Molecular Weight:
400.4299
IUPAC Name:
4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
InChI:
InChI=1S/C23H20N4O3/c1-29-18-10-6-16(7-11-18)14-24-27-23(28)17-8-12-19(13-9-17)30-15-22-25-20-4-2-3-5-21(20)26-22/h2-14H,15H2,1H3,(H,25,26)(H,27,28)/b24-14+
InChI Key:
FALQSMMCBWPGTO-ZVHZXABRSA-N
SMILES:
COc1ccc(cc1)/C=N/NC(=O)c1ccc(cc1)OCc1nc2c([nH]1)cccc2
NSC Number:
347511
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
400.154g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.438g/mol
Monoisotopic Mass:
400.154g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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