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Home > Imidazoles > 106011-94-3
106011-94-3 | Isoquinoline, 2-benzoyl-1,2-dihydro-1-(1-methyl-1H-benzimidazol-2-yl)-
CAS No: 106011-94-3 Catalog No: AG0084MF MDL No:
Product Description
Catalog Number:
AG0084MF
Chemical Name:
Isoquinoline, 2-benzoyl-1,2-dihydro-1-(1-methyl-1H-benzimidazol-2-yl)-
CAS Number:
106011-94-3
Molecular Formula:
C24H19N3O
Molecular Weight:
365.4272
IUPAC Name:
[1-(1-methylbenzimidazol-2-yl)-1H-isoquinolin-2-yl]-phenylmethanone
InChI:
InChI=1S/C24H19N3O/c1-26-21-14-8-7-13-20(21)25-23(26)22-19-12-6-5-9-17(19)15-16-27(22)24(28)18-10-3-2-4-11-18/h2-16,22H,1H3
InChI Key:
UBYLMRVDERLFTO-UHFFFAOYSA-N
SMILES:
O=C(N1C=Cc2c(C1c1nc3c(n1C)cccc3)cccc2)c1ccccc1
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.153g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.436g/mol
Monoisotopic Mass:
365.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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