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Home > Imidazoles > 115621-49-3
115621-49-3 | 2H-Pyrrol-2-one, 1,5-dihydro-4-[4-(1H-imidazol-1-yl)phenyl]-3-methyl-
CAS No: 115621-49-3 Catalog No: AG000G93 MDL No:
Product Description
Catalog Number:
AG000G93
Chemical Name:
2H-Pyrrol-2-one, 1,5-dihydro-4-[4-(1H-imidazol-1-yl)phenyl]-3-methyl-
CAS Number:
115621-49-3
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
3-(4-imidazol-1-ylphenyl)-4-methyl-1,2-dihydropyrrol-5-one
InChI:
InChI=1S/C14H13N3O/c1-10-13(8-16-14(10)18)11-2-4-12(5-3-11)17-7-6-15-9-17/h2-7,9H,8H2,1H3,(H,16,18)
InChI Key:
LFSVTQCVEVAXED-UHFFFAOYSA-N
SMILES:
O=C1NCC(=C1C)c1ccc(cc1)n1cncc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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