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Home > Imidazoles > 114496-26-3
114496-26-3 | 4(3H)-Quinazolinone, 3-[4,5-dihydro-2-methyl-5-oxo-4-(phenylmethylene)-1H-imidazol-1-yl]-2-ethyl-
CAS No: 114496-26-3 Catalog No: AG000EKC MDL No:
Product Description
Catalog Number:
AG000EKC
Chemical Name:
4(3H)-Quinazolinone, 3-[4,5-dihydro-2-methyl-5-oxo-4-(phenylmethylene)-1H-imidazol-1-yl]-2-ethyl-
CAS Number:
114496-26-3
Molecular Formula:
C21H18N4O2
Molecular Weight:
358.3932
IUPAC Name:
3-(4-benzylidene-2-methyl-5-oxoimidazol-1-yl)-2-ethylquinazolin-4-one
InChI:
InChI=1S/C21H18N4O2/c1-3-19-23-17-12-8-7-11-16(17)20(26)25(19)24-14(2)22-18(21(24)27)13-15-9-5-4-6-10-15/h4-13H,3H2,1-2H3
InChI Key:
RECWSQBBQBGMFQ-UHFFFAOYSA-N
SMILES:
CCc1nc2ccccc2c(=O)n1N1C(=NC(=Cc2ccccc2)C1=O)C
Properties
Complexity:
718
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.143g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.401g/mol
Monoisotopic Mass:
358.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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