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Home > Imidazoles > 65993-01-3
65993-01-3 | 1H-Benzimidazole, 1-(1-oxo-2-propenyl)-2-(4-thiazolyl)-
CAS No: 65993-01-3 Catalog No: AG006LME MDL No:
Product Description
Catalog Number:
AG006LME
Chemical Name:
1H-Benzimidazole, 1-(1-oxo-2-propenyl)-2-(4-thiazolyl)-
CAS Number:
65993-01-3
Molecular Formula:
C13H9N3OS
Molecular Weight:
255.2951
IUPAC Name:
1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]prop-2-en-1-one
InChI:
InChI=1S/C13H9N3OS/c1-2-12(17)16-11-6-4-3-5-9(11)15-13(16)10-7-18-8-14-10/h2-8H,1H2
InChI Key:
GLNBZGLFAKYGGK-UHFFFAOYSA-N
SMILES:
C=CC(=O)n1c(nc2c1cccc2)c1cscn1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.295g/mol
Monoisotopic Mass:
255.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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