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Home > Imidazoles > 1375474-53-5
1375474-53-5 | 1-(1-methyl-1H-imidazole-2-carbonyl)isoquinoline
CAS No: 1375474-53-5 Catalog No: AG019TI7 MDL No:MFCD19555360
Product Description
Catalog Number:
AG019TI7
Chemical Name:
1-(1-methyl-1H-imidazole-2-carbonyl)isoquinoline
CAS Number:
1375474-53-5
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
MDL Number:
MFCD19555360
IUPAC Name:
isoquinolin-1-yl-(1-methylimidazol-2-yl)methanone
InChI:
InChI=1S/C14H11N3O/c1-17-9-8-16-14(17)13(18)12-11-5-3-2-4-10(11)6-7-15-12/h2-9H,1H3
InChI Key:
MCLYURKTWYRKJK-UHFFFAOYSA-N
SMILES:
Cn1ccnc1C(=O)c1nccc2c1cccc2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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