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88538-72-1 | 2-Propen-1-one, 1-[3-(5-nitro-1H-benzimidazol-1-yl)phenyl]-3-phenyl-
CAS No: 88538-72-1 Catalog No: AG0045OZ MDL No:
Product Description
Catalog Number:
AG0045OZ
Chemical Name:
2-Propen-1-one, 1-[3-(5-nitro-1H-benzimidazol-1-yl)phenyl]-3-phenyl-
CAS Number:
88538-72-1
Molecular Formula:
C22H15N3O3
Molecular Weight:
369.3728
IUPAC Name:
1-[3-(5-nitrobenzimidazol-1-yl)phenyl]-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C22H15N3O3/c26-22(12-9-16-5-2-1-3-6-16)17-7-4-8-18(13-17)24-15-23-20-14-19(25(27)28)10-11-21(20)24/h1-15H
InChI Key:
JENZMTZCLLJACX-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)n1cnc2c1ccc(c2)[N+](=O)[O-])C=Cc1ccccc1
Properties
Complexity:
596
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
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