200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 88538-67-4
88538-67-4 | 2-Propen-1-one, 1-[4-(5-nitro-1H-benzimidazol-1-yl)phenyl]-3-phenyl-
CAS No: 88538-67-4 Catalog No: AG00456A MDL No:
Product Description
Catalog Number:
AG00456A
Chemical Name:
2-Propen-1-one, 1-[4-(5-nitro-1H-benzimidazol-1-yl)phenyl]-3-phenyl-
CAS Number:
88538-67-4
Molecular Formula:
C22H15N3O3
Molecular Weight:
369.3728
IUPAC Name:
1-[4-(5-nitrobenzimidazol-1-yl)phenyl]-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C22H15N3O3/c26-22(13-6-16-4-2-1-3-5-16)17-7-9-18(10-8-17)24-15-23-20-14-19(25(27)28)11-12-21(20)24/h1-15H
InChI Key:
RDXKJPUPPAORMW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)n1cnc2c1ccc(c2)[N+](=O)[O-])C=Cc1ccccc1
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.111g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.38g/mol
Monoisotopic Mass:
369.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.