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Home > Imidazoles > 74878-56-1
74878-56-1 | 1-(2-ETHOXY-2-OXOETHYL)-3-METHYL-2-[5-(1-PHENYL-1H-PYRAZOL-3-YL)FURAN-2-YL]-1H-BENZO[D]IMIDAZOLIUM CHLORIDE
CAS No: 74878-56-1 Catalog No: AG008OPZ MDL No:
Product Description
Catalog Number:
AG008OPZ
Chemical Name:
1-(2-ETHOXY-2-OXOETHYL)-3-METHYL-2-[5-(1-PHENYL-1H-PYRAZOL-3-YL)FURAN-2-YL]-1H-BENZO[D]IMIDAZOLIUM CHLORIDE
CAS Number:
74878-56-1
Molecular Formula:
C25H25ClN4O3
Molecular Weight:
464.9440
IUPAC Name:
ethyl 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)furan-2-yl]-1,2-dihydrobenzimidazol-1-ium-1-yl]acetate;chloride
InChI:
InChI=1S/C25H24N4O3.ClH/c1-3-31-24(30)17-28-21-12-8-7-11-20(21)27(2)25(28)23-14-13-22(32-23)19-15-16-29(26-19)18-9-5-4-6-10-18;/h4-16,25H,3,17H2,1-2H3;1H
InChI Key:
WHMFCIKOUYHWQX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C[NH+]1c2ccccc2N(C1c1ccc(o1)c1ccn(n1)c1ccccc1)C.[Cl-]
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.162g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
464.95g/mol
Monoisotopic Mass:
464.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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