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Home > Imidazoles > 828265-46-9
828265-46-9 | 5H-Indeno[1,2-d]pyrimidine, 5-(1H-imidazol-1-yl)-2-methyl-
CAS No: 828265-46-9 Catalog No: AG0055UH MDL No:
Product Description
Catalog Number:
AG0055UH
Chemical Name:
5H-Indeno[1,2-d]pyrimidine, 5-(1H-imidazol-1-yl)-2-methyl-
CAS Number:
828265-46-9
Molecular Formula:
C15H12N4
Molecular Weight:
248.2826
IUPAC Name:
5-imidazol-1-yl-2-methyl-5H-indeno[1,2-d]pyrimidine
InChI:
InChI=1S/C15H12N4/c1-10-17-8-13-14(18-10)11-4-2-3-5-12(11)15(13)19-7-6-16-9-19/h2-9,15H,1H3
InChI Key:
BBGGTIYYIGXEIP-UHFFFAOYSA-N
SMILES:
Cc1ncc2c(n1)c1ccccc1C2n1cncc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.289g/mol
Monoisotopic Mass:
248.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors. | Journal of medicinal chemistry 20041230 |
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